SCHEMBL1779836

SCHEMBL1779836

COc1nc2[nH]ccc2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK14 Q16539 2/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRB P23467 1/20 0.41
PTPRE P23469 1/20 0.41
PTPN6 P29350 1/20 0.41
CDK8 P49336 2/20 0.40
KEAP1 Q14145 1/20 0.39
BRD4 O60885 2/20 0.38
GAA P10253 1/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
HSD17B10 Q99714 3/20 0.38

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
SCHEMBL31403547 1.00 POLB (0.49) POLBTDP1MAPK14KDM4EALDH1A1
SCHEMBL4793467 0.88 CDK8 (0.46) POLBTDP1MAPK14KDM4EALDH1A1
SCHEMBL6493825 0.84 NUDT1 (0.41) KDM4EALDH1A1HPGDPTPRCPTPN2
SCHEMBL4793941 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPTPRCPTPN2
SCHEMBL29566015 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPTPRCPTPN2
SCHEMBL5925880 0.77 PTPRC (0.45) KDM4EALDH1A1HPGDPTPRCPTPN2
SCHEMBL27982631 0.76 PTPRC (0.42) KDM4EALDH1A1HPGDPTPRCPTPN2
SCHEMBL25228027 0.76 ALDH1A1 (0.41) MAPK14ALDH1A1CDK8KDRFGFR1
SCHEMBL30488905 0.76 ALDH1A1 (0.41) MAPK14ALDH1A1CDK8KDRFGFR1
SCHEMBL4151886 0.76 PTPRC (0.44) KDM4EALDH1A1HPGDPTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309571-B2 Heterobicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-7943617-B2 Especially p38 MAP kinase alpha and beta; 2,4-difluorophenyl(3-(2-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)methanone BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed
EP-1560582-A4 AZAINDOLE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC (US) 2008-03-12 EP disclosed
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 US disclosed
EP-1560582-A2 AZAINDOLE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-08-10 EP disclosed
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-09-09 US disclosed
WO-2004032874-A2 AZAINDOLE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-04-22 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 (4 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-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 POLB 1217/4885TDP1 2013/4885MAPK14 39/4885
US-20110190292-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 POLB 1217/4885TDP1 2013/4885MAPK14 39/4885
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 POLB 2004/4885TDP1 1225/4885MAPK14 21/4885
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK4 POLB 2518/4885TDP1 1260/4885MAPK14 11/4885

“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.