SCHEMBL1126828

SCHEMBL1126828

Nc1ccc(Cn2ccnc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 19/20 0.67
CYP11B2 P19099 14/20 0.67
CYP19A1 P11511 2/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2B6 P20813 1/20 0.57

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
SCHEMBL2730259 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL5044839 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2236412 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL7077754 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.80 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2728400 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL77025 0.79 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL3317473 0.78 CYP11B1 (0.60) CYP11B1CYP11B2
SCHEMBL2730075 0.78 CYP11B1 (1.00) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1775141 0.78 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP disclosed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US disclosed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 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 (4 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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 CYP11B1 510/4885CYP11B2 366/4885CYP19A1 1518/4885
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 CYP11B1 1644/4885CYP11B2 1684/4885CYP19A1 2903/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 CYP11B1 1644/4885CYP11B2 1684/4885CYP19A1 2903/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CYP11B1 1166/4885CYP11B2 1192/4885CYP19A1 1778/4885

“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.