Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL289718 | 0.86 | SMN1; SMN2 (0.48) | CYP1A1CYP1B1MAPTALDH1A1CYP19A1 | |
| SCHEMBL14931188 | 0.84 | KDM4E (0.41) | MAPTTDP1ALDH1A1POLBCYP19A1 | |
| SCHEMBL3674074 | 0.84 | CA9 (0.50) | AOC3CYP1A1CYP1B1MAPTTDP1 | |
| SCHEMBL30701949 | 0.84 | CA9 (0.50) | AOC3CYP1A1CYP1B1MAPTTDP1 | |
| SCHEMBL28322511 | 0.76 | CYP1A1 (0.44) | AOC3CYP1A1CYP1B1MAPTTDP1 | |
| SCHEMBL544086 | 0.75 | SMN1; SMN2 (0.52) | MAPTTDP1ALDH1A1POLBKDM4E | |
| SCHEMBL642228 | 0.74 | HDAC4 (0.58) | MAPTALDH1A1KDM4EHPGDHDAC4 | |
| SCHEMBL16826842 | 0.73 | KDM4E (0.40) | MAPTALDH1A1POLBCYP19A1KMT2A | |
| SCHEMBL12987666 | 0.73 | TUBB1 (0.37) | ALDH1A1KMT2ANQO1CA12CA1 | |
| SCHEMBL14120688 | 0.73 | CA12 (0.37) | MAPTALDH1A1POLBKDM4EHPGD |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9944597-B2 | Polysubstituted pyrroles having microtubule-disrupting, cytotoxic and antitumor activities and methods of use thereof | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-04-17 | — | — | US | disclosed |
| US-20160297757-A1 | POLYSUBSTITUTED PYRROLES HAVING MICROTUBULE-DISRUPTING, CYTOTOXIC AND ANTITUMOR ACTIVITIES AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SY STEM (US) | 2016-10-13 | — | — | US | disclosed |
| WO-2015039073-A1 | POLYSUBSTITUTED PYRROLES HAVING MICROTUBULE-DISRUPTING, CYTOTOXIC AND ANTITUMOR ACTIVITIES AND METHDS OF USE THEREOF | KELLOGG GLEN E (US) | 2015-03-19 | — | — | WO | disclosed |
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |
| US-20110144331-A1 | Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders | ASTRAZENECA AB (SE) | 2011-06-16 | — | — | US | disclosed |
| US-20100184738-A1 | Uses of cinnoline compounds to treat schizophrenia | ASTRAZENECA AB (SE) | 2010-07-22 | — | — | US | disclosed |
| EP-2198867-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | Vertex Pharmaceuticals, Inc. (US) | 2010-06-23 | — | — | EP | disclosed |
| EP-1474147-B1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| EP-2167091-A1 | CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA | AstraZeneca AB (SE) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008155573-A1 | CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA | ASTRAZENECA AB (SE) | 2008-12-24 | — | — | WO | disclosed |
| US-7465795-B2 | Compounds and uses thereof | ASTRAZENECA AB (SE) | 2008-12-16 | — | — | US | disclosed |
| US-7425556-B2 | Compounds and uses thereof | ASTRAZENECA AB (SE) | 2008-09-16 | — | — | US | disclosed |
| EP-1966158-A1 | SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS | AstraZeneca AB (SE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007073283-A1 | SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |
| US-20070142328-A1 | Compounds and Uses Thereof | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | US | disclosed |
| US-20070142382-A1 | Compounds and Uses Thereof | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | US | disclosed |
| EP-1474147-A1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2004-11-10 | — | — | EP | disclosed |
| US-20030199526-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | VERTEX PHARMACEUTICALS, INCORPORATED | 2003-10-23 | — | — | US | disclosed |
| WO-2003049739-A1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | VERTEX PHARMACEUTICALS, INC. (US) | 2003-06-19 | — | — | 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 (6 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-20030199526-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | GSK3B, GSK3A, GSKIP | AOC3 4029/4885CYP1A1 3348/4885CYP1B1 1636/4885 |
| US-20070142328-A1 | Compounds and Uses Thereof | MAPT, BDNF, PYGB | AOC3 1207/4885CYP1A1 1208/4885CYP1B1 977/4885 |
| US-20070142382-A1 | Compounds and Uses Thereof | MAPT, BDNF, PYGB | AOC3 1207/4885CYP1A1 1208/4885CYP1B1 977/4885 |
| US-20110144331-A1 | Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders | HTR7, HTR2C, CRH | AOC3 975/4885CYP1A1 1031/4885CYP1B1 703/4885 |
| US-20160297757-A1 | POLYSUBSTITUTED PYRROLES HAVING MICROTUBULE-DISRUPTING, CYTOTOXIC AND ANTITUMOR ACTIVITIES AND METHODS OF USE THEREOF | TUBB3, TUBB1, TUBB | AOC3 4016/4885CYP1A1 1326/4885CYP1B1 849/4885 |
| US-20100184738-A1 | Uses of cinnoline compounds to treat schizophrenia | COMT, BACE1, CHAT | AOC3 352/4885CYP1A1 493/4885CYP1B1 481/4885 |
“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.