SCHEMBL7215338

SCHEMBL7215338

Cc1ccn2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(C)c(C)c3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.46
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PTGS1 P23219 3/20 0.43
MAPK14 Q16539 1/20 0.37

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
SCHEMBL5261375 0.86 PTGS2 (0.49) PTGS2AKT1AKT2PTGS1
SCHEMBL7217116 0.86 PTGS2 (0.49) PTGS2AKT1AKT2PTGS1
SCHEMBL5263337 0.85 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL14340763 0.84 PTGS2 (0.61) PTGS2AKT1AKT2PTGS1MAPK14
SCHEMBL7217178 0.84 ROCK2 (0.48) PTGS2AKT1AKT2PTGS1
SCHEMBL5261573 0.81 AKT1 (0.43) PTGS2AKT1AKT2PTGS1MAPK14
SCHEMBL5264566 0.79 PTGS2 (0.52) PTGS2PTGS1MAPK14
SCHEMBL5263764 0.75 AKT1 (0.60) PTGS2AKT1AKT2PTGS1MAPK14
SCHEMBL5265600 0.74 CA12 (0.41) PTGS2AKT1AKT2PTGS1
SCHEMBL7216630 0.73 PTGS2 (0.50) PTGS2AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US claimed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP claimed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP claimed
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP disclosed