SCHEMBL581279

SCHEMBL581279

CN(C)C(=O)C=Cc1cccnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NFE2L2 Q16236 12/20 0.44
LMNA P02545 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL9639798 0.90 NPC1 (0.43) NPC1L3MBTL1NFE2L2LMNATRPM8
SCHEMBL9756994 0.80 LMNA (0.50) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL9756997 0.80 LMNA (0.50) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL15765203 0.78 NPC1 (0.54) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL15758324 0.78 NPC1 (0.54) NPC1L3MBTL1NFE2L2LMNASMN1; SMN2
SCHEMBL4912952 0.78 NFE2L2 (0.48) NFE2L2
SCHEMBL4105481 0.77 HDAC1 (0.57) NPC1L3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL2882460 0.75 CA12 (0.47) NPC1L3MBTL1NFE2L2LMNACCNC
SCHEMBL2882462 0.75 CA12 (0.47) NPC1L3MBTL1NFE2L2LMNACCNC
SCHEMBL29940285 0.75 CA12 (0.47) NPC1L3MBTL1NFE2L2LMNACCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 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
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
WO-2011049150-A1 PYRONE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO 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-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US 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 (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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB NPC1 1051/4885L3MBTL1 998/4885NFE2L2 3436/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 NPC1 996/4885L3MBTL1 1346/4885NFE2L2 2603/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K NPC1 4619/4885L3MBTL1 3700/4885NFE2L2 1716/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB NPC1 1051/4885L3MBTL1 998/4885NFE2L2 3436/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB NPC1 1051/4885L3MBTL1 998/4885NFE2L2 3436/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 NPC1 4497/4885L3MBTL1 4145/4885NFE2L2 2013/4885

“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.