Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.59 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.59 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SPR | P35270 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3122203 | 0.96 | PARP1 (0.59) | PARP1PARP15PARP3KDM4EHPGD | |
| SCHEMBL18711836 | 0.88 | PARP1 (0.62) | PARP1PARP15PARP3KDM4EHPGD | |
| SCHEMBL30850282 | 0.77 | PARP1 (0.56) | PARP1PARP15PARP3KDM4EHPGD | |
| SCHEMBL18703579 | 0.76 | HPGD (0.49) | PARP1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL17086636 | 0.76 | HPGD (0.49) | PARP1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL18689727 | 0.76 | HPGD (0.50) | PARP1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL18701482 | 0.76 | HPGD (0.50) | PARP1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL18711813 | 0.76 | HPGD (0.54) | PARP1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL18689663 | 0.76 | HPGD (0.61) | HPGDCYP1A2CYP2C9CYP2C19MMP13 | |
| SCHEMBL18711684 | 0.74 | PARP1 (0.49) | PARP1PARP15PARP3CYP1A2HIF1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3356345-B1 | HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS | MAX PLANCK GESELLSCHAFT (DE) | 2023-11-08 | — | — | EP | disclosed |
| US-11332462-B2 | Heteroaryl compounds and methods of use thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2022-05-17 | — | — | US | disclosed |
| US-11124520-B2 | Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibitor and antitumor agents | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2021-09-21 | — | — | US | disclosed |
| US-20200277286-A1 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2020-09-03 | — | — | US | disclosed |
| US-20200181152-A1 | Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2020-06-11 | — | — | US | disclosed |
| US-10556890-B2 | Heteroaryl compounds and methods of use thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2020-02-11 | — | — | US | disclosed |
| US-10538527-B2 | Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2020-01-21 | — | — | US | disclosed |
| US-20190241571-A1 | Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2019-08-08 | — | — | US | disclosed |
| US-20190135816-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2019-05-09 | — | — | US | disclosed |
| US-10239880-B2 | Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2019-03-26 | — | — | US | disclosed |
| US-20160304525-A1 | Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2016-10-20 | — | — | US | disclosed |
| US-20160039830-A1 | Substituted Pyrimidine Compounds and Methods of Use and Manufacture | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2016-02-11 | — | — | US | disclosed |
| WO-2016022881-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2016-02-11 | — | — | WO | disclosed |
| US-20160039830-A1 | Substituted Pyrimidine Compounds and Methods of Use and Manufacture | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2016-02-11 | — | — | US | disclosed |
| WO-2015135461-A1 | SUBSTITUTED DIHYDROBENZOFURAN-PIPERIDINE-KETONE DERIVATIVE, PREPARATION AND USE THEREOF | 四川海思科制药有限公司 | 2015-09-17 | — | — | WO | disclosed |
| US-20150031709-A1 | Heteroaryl Compounds and Methods of Use Thereof | SUNOVION PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | US | disclosed |
| US-20150031709-A1 | Heteroaryl Compounds and Methods of Use Thereof | SUNOVION PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | US | disclosed |
| WO-2013119895-A1 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2013-08-15 | — | — | WO | disclosed |
| US-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2010006025-A1 | BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2010-01-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | KCNQ1, KCNN2, KCNH3 | PARP1 4003/4885PARP15 2336/4885PARP3 3406/4885 |
| US-20150031709-A1 | Heteroaryl Compounds and Methods of Use Thereof | COMT, GRIN2C, TPMT | PARP1 2888/4885PARP15 2295/4885PARP3 2150/4885 |
| US-20160304525-A1 | Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents | FOLR1, TUBB1, TUBA1C | PARP1 1588/4885PARP15 1457/4885PARP3 1493/4885 |
| US-20200181152-A1 | Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents | FOLR1, DHFR, TUBB3 | PARP1 1132/4885PARP15 1009/4885PARP3 695/4885 |
| US-20200277286-A1 | HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | COMT, GRIN2C, TPMT | PARP1 2888/4885PARP15 2295/4885PARP3 2150/4885 |
| US-10556890-B2 | Heteroaryl compounds and methods of use thereof | COMT, GRIN2C, TPMT | PARP1 2888/4885PARP15 2295/4885PARP3 2150/4885 |
| US-20190241571-A1 | Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents | TUBB, TUBB1, TUBA1C | PARP1 1640/4885PARP15 1398/4885PARP3 1374/4885 |
| US-11332462-B2 | Heteroaryl compounds and methods of use thereof | COMT, GRIN2C, TPMT | PARP1 2888/4885PARP15 2295/4885PARP3 2150/4885 |
| US-10239880-B2 | Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents | FOLR1, TUBB1, TUBA1C | PARP1 1588/4885PARP15 1457/4885PARP3 1493/4885 |
| US-11124520-B2 | Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibitor and antitumor agents | FOLR1, DHFR, TUBB3 | PARP1 1155/4885PARP15 1048/4885PARP3 728/4885 |
| US-10538527-B2 | Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents | TUBB, TUBB1, TUBA1C | PARP1 1640/4885PARP15 1398/4885PARP3 1374/4885 |
| US-20190135816-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE | DHFR, FOLR1, DPYD | PARP1 2002/4885PARP15 1127/4885PARP3 1747/4885 |
| US-20160039830-A1 | Substituted Pyrimidine Compounds and Methods of Use and Manufacture | DHFR, FOLR1, DPYD | PARP1 2002/4885PARP15 1127/4885PARP3 1747/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.