SCHEMBL2016045

SCHEMBL2016045

Nc1nc(N)c2ccoc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 1/20 0.42
▸ DHFR P00374 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8984097 0.79 KDM4E (0.36) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29407710 0.74 ADORA2A (0.49) MEN1CYP1A2KMT2AHSD17B10
SCHEMBL30616827 0.71 KDM4E (0.31) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29407640 0.70 PI4KA (0.42) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL18305671 0.66 DHFR (0.46) DHFR
SCHEMBL2042259 0.65 HSP90AA1 (0.41) DHFRALDH1A1
SCHEMBL3705558 0.65 DCPS (0.47) DCPSDHFRALDH1A1CYP1A2HPGD
SCHEMBL899214 0.62 NCF1 (0.43) IDO1
SCHEMBL24174730 0.62 NOS3 (0.38) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4439756 0.61 KDM4E (0.34) KDM4ETUBB4ATUBBTUBA3CTUBA1B

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2020-05-19 — — 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-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2019-07-11 — — 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-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2019-02-19 — — US disclosed
US-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2018-06-14 — — US disclosed
US-9896455-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-02-20 — — US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 — — US disclosed
EP-2200437-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF Duquesne University of the Holy Ghost (US) 2010-06-30 — — EP disclosed
US-20100105757-A1 TREATMENT AND INHIBITION OF DISEASE CONDITIONS USING FLEXIBLE HETEROAROTINOIDS BENBROOK DORIS M 2010-04-29 — — US disclosed
US-7612107-B2 Such as cancer, diabetes, hemophilia, liver disease, diseases involving human aldehyde dehydrogenase 2, polycystic kidney disease, lysosomal storage diseases, high cholesterol, obesity, high triglycerides, glycoprotein metabolism, and angiogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2009-11-03 — — US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 — — US disclosed
WO-2009029473-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2009-03-05 — — WO disclosed
US-20070238742-A1 METHODS OF PREPARATION AND RESOLUTION OF E/Z ISOMERS OF VINYLFURO[2,3-D]PYRIMIDINE AND THEIR BIOLOGICAL ACTIVITIES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-11 — — US disclosed
US-20060281806-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA, THE 2006-12-14 — — US disclosed
US-20060252817-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA, THE 2006-11-09 — — US disclosed
WO-2006113627-A2 TREATMENT AND INHIBITION OF DISEASE CONDITIONS USING FLEXIBLE HETEROAROTIONIDS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2006-10-26 — — 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 (14 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180162863-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS DCPS 374/4885DHFR 1/4885KDM4E 3154/4885
US-20070238742-A1 METHODS OF PREPARATION AND RESOLUTION OF E/Z ISOMERS OF VINYLFURO[2,3-D]PYRIMIDINE AND THEIR BIOLOGICAL ACTIVITIES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT FOLR2, FOLR1, DHFR DCPS 713/4885DHFR 3/4885KDM4E 1081/4885
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS DCPS 374/4885DHFR 1/4885KDM4E 3154/4885
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 DCPS 511/4885DHFR 2/4885KDM4E 3095/4885
US-20100105757-A1 TREATMENT AND INHIBITION OF DISEASE CONDITIONS USING FLEXIBLE HETEROAROTINOIDS HSD17B4, HSD17B14, MAN2B1 DCPS 2437/4885DHFR 806/4885KDM4E 3810/4885
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 DCPS 807/4885DHFR 8/4885KDM4E 3565/4885
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 DCPS 648/4885DHFR 4/4885KDM4E 2794/4885
US-10208051-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS DCPS 374/4885DHFR 1/4885KDM4E 3154/4885
US-20060281806-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids HSD17B4, HSD17B14, MAN2B1 DCPS 2437/4885DHFR 806/4885KDM4E 3810/4885
US-20060252817-A1 Treatment and inhibition of disease conditions using flexible heteroarotinoids HSD17B14, HSD17B4, PNLIP DCPS 2483/4885DHFR 463/4885KDM4E 3563/4885
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 DCPS 528/4885DHFR 2/4885KDM4E 3019/4885
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS DCPS 374/4885DHFR 1/4885KDM4E 3154/4885
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 DCPS 807/4885DHFR 8/4885KDM4E 3565/4885
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS DCPS 374/4885DHFR 1/4885KDM4E 3154/4885

“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.

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