SCHEMBL81729

SCHEMBL81729

[c]1cnc2ncncc2n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL82061 0.83 EGFR (0.30) EGFRPIK3CG
SCHEMBL5336910 0.73 EGFR (0.32) EGFRPIK3CG
SCHEMBL6290799 0.70
SCHEMBL3942878 0.68
SCHEMBL3933600 0.68
SCHEMBL7626 0.67 EGFR (0.34) EGFRPIK3CG
SCHEMBL29355369 0.67 EGFR (0.34) EGFRPIK3CG
SCHEMBL3292267 0.66 PIK3CG (0.47) EGFRPIK3CG
Phosphine SCHEMBL3090397 0.65 CHRNB4 (0.33) EGFRPIK3CG
SCHEMBL6120084 0.65 EGFR (0.33) EGFRPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US claimed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US claimed
EP-2190790-B1 INCREASE IN BIOCIDAL EFFECT OF HYDROGEN PEROXIDE IN WASTE WATERS BY TRANSITION METAL CATALYSTS KURITA WATER IND LTD (JP) 2017-06-21 EP claimed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP claimed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP claimed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US claimed
US-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US claimed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP claimed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 US claimed
EP-1147097-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-24 EP claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
WO-2000044733-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-03 WO claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP EGFR 3243/4885PIK3CG 2594/4885
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors CMA1, TPSB2, TPSAB1 EGFR 3741/4885PIK3CG 3584/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 EGFR 3947/4885PIK3CG 1292/4885

“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.