SCHEMBL4184875

SCHEMBL4184875

CNc1nccc(-c2cc(C(=O)NC(CN)Cc3ccc(Cl)cc3Cl)cs2)n1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 20/20 0.77
MET P08581 1/20 0.77
KIT P10721 1/20 0.77
PRKCA P17252 1/20 0.77
PRKACA P17612 1/20 0.77
PRKACG P22612 1/20 0.77
PRKACB P22694 1/20 0.77
MAPK3 P27361 1/20 0.77
AKT1 P31749 1/20 0.77
AKT2 P31751 1/20 0.77
CAMK2A Q9UQM7 1/20 0.77

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
SCHEMBL16970888 0.89 AKT3 (0.60) AKT3METKITPRKCAPRKACA
SCHEMBL5003710 0.87 AKT3 (1.00) AKT3METKITPRKCAPRKACA
SCHEMBL5000308 0.87 AKT3 (1.00) AKT3METKITPRKCAPRKACA
SCHEMBL5000425 0.87 AKT3 (1.00) AKT3METKITPRKCAPRKACA
SCHEMBL4661496 0.85 AKT3 (0.60) AKT3METKITPRKCAPRKACA
SCHEMBL30097389 0.82 AKT3 (0.78) AKT3METKITPRKCAPRKACA
SCHEMBL26970377 0.82 AKT3 (0.78) AKT3METKITPRKCAPRKACA
SCHEMBL27848204 0.82 AKT3 (0.78) AKT3METKITPRKCAPRKACA
SCHEMBL29382163 0.82 AKT3 (0.78) AKT3METKITPRKCAPRKACA
SCHEMBL5006480 0.82 AKT3 (0.75) AKT3METKITPRKCAPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906934-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furane-derivatives as kinase inhibitors Nerviano Medical Science S.R.L. (IT) 2014-12-09 US claimed
EP-2004623-B1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP claimed
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-22 US claimed
US-8263604-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-11 US claimed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US claimed
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
US-9670191-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-06 US disclosed
US-20150218138-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-06 US disclosed
US-9056854-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-06-16 US disclosed
US-20150051237-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-19 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO disclosed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150051237-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 AKT3 329/4885MET 1131/4885KIT 292/4885
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 AKT3 308/4885MET 1037/4885KIT 292/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA AKT3 7/4885MET 338/4885KIT 497/4885
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 AKT3 329/4885MET 1131/4885KIT 292/4885
US-20150218138-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 AKT3 329/4885MET 1131/4885KIT 292/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 AKT3 2491/4885MET 1469/4885KIT 354/4885

“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.