SCHEMBL257380

SCHEMBL257380

NC(=O)Nc1cccc2[nH]ccc12

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
DHPS P49366 8/20 0.57
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TRPV1 Q8NER1 2/20 0.51
HTR6 P50406 1/20 0.49
PARP1 P09874 2/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GOT1 P17174 1/20 0.43
AHR P35869 1/20 0.43

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
SCHEMBL4025098 0.84 MAPK1 (0.63) MAPK1DHPSTRPV1HTR6PARP1
SCHEMBL29901215 0.84 MAPK1 (0.63) MAPK1DHPSTRPV1HTR6PARP1
SCHEMBL13046884 0.83 MAPK1 (0.61) MAPK1DHPSKDM4ETRPV1HTR6
SCHEMBL3234925 0.83 MAPK1 (1.00) MAPK1DHPSGAAKDM4ETRPV1
SCHEMBL29429765 0.82 DHPS (0.72) MAPK1DHPSTRPV1PARP1
SCHEMBL9513475 0.82 DHPS (0.72) MAPK1DHPSTRPV1PARP1
SCHEMBL6312356 0.81 KDM4E (0.60) MAPK1DHPSGAAKDM4ETRPV1
SCHEMBL31668702 0.80 TRPV1 (0.65) MAPK1DHPSKDM4ETRPV1
SCHEMBL25120814 0.79 DHPS (0.57) MAPK1DHPSTRPV1HDAC3HDAC1
SCHEMBL16339546 0.79 MAPK1 (0.56) MAPK1DHPSTRPV1HTR6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470533-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2012-07-04 EP claimed
WO-2011023081-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2011-03-03 WO claimed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
EP-2736899-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2013013816-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
EP-2470533-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2012-07-04 EP disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO disclosed
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed
WO-2011023081-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2011-03-03 WO disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 US disclosed
US-6858577-B1 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
WO-2001000657-A2 NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 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 (1 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 MAPK1 138/4885DHPS 1754/4885GAA 2720/4885

“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.