SCHEMBL974439

SCHEMBL974439

CNc1nccc(-c2ccccc2Oc2ccc(N)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
AURKB Q96GD4 7/20 0.46
AURKA O14965 4/20 0.46
TPX2 Q9ULW0 4/20 0.46
TEK Q02763 1/20 0.46
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL580385 0.84 TEK (0.60) AURKBAURKATPX2TEK
SCHEMBL580394 0.82 NCOA1 (0.54) IKBKBNCOA1NCOA3AURKA
SCHEMBL1264960 0.82 PIK3CA (0.48) IKBKBAURKBAURKATPX2TEK
SCHEMBL974760 0.82 TEK (0.43) IKBKBAURKBAURKATPX2TEK
SCHEMBL4726065 0.80 NCOA1 (0.51) IKBKBNCOA1NCOA3KCNH2SCN5A
SCHEMBL976060 0.76 TEK (0.79) AURKBAURKATPX2TEK
SCHEMBL4932947 0.75 KDR (0.47) KCNH2SCN5ASCN9A
SCHEMBL28501185 0.74 HSP90AA1 (0.53) IKBKBNCOA1NCOA3AURKA
SCHEMBL30507528 0.74 HSP90AA1 (0.53) IKBKBNCOA1NCOA3AURKA
SCHEMBL1265189 0.73 AURKB (0.70) AURKBAURKATPX2TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 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 (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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 IKBKB 544/4885NCOA1 1686/4885NCOA3 2038/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K IKBKB 409/4885NCOA1 1811/4885NCOA3 2241/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 IKBKB 391/4885NCOA1 1985/4885NCOA3 2204/4885

“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.