SCHEMBL4183686

SCHEMBL4183686

CSc1ccc(-c2cn[nH]c(=O)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPK14 Q16539 10/20 0.42
GCGR P47871 6/20 0.42
TGFBR1 P36897 2/20 0.42
MAPK13 O15264 7/20 0.41
MAPK12 P53778 7/20 0.41
MAPK11 Q15759 7/20 0.41
RET P07949 2/20 0.41
JAK2 O60674 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MAP4K2 Q12851 1/20 0.41
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
ALOX5 P09917 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MATK P42679 1/20 0.40
FRK P42685 1/20 0.40

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
SCHEMBL13928124 0.83 JAK2 (0.38) PTGS1PTGS2MAPK14TGFBR1MAPK13
SCHEMBL4800330 0.81 MAPK14 (0.63) MAPK14GCGRTGFBR1MAPK13MAPK12
SCHEMBL3867881 0.80 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL27470573 0.76 MAPK14 (0.40) PTGS2MAPK14TGFBR1MAPK13MAPK12
SCHEMBL17016672 0.74 TGFBR1 (0.49) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL13950787 0.74 JAK2 (0.38) PTGS1PTGS2MAPK14TGFBR1MAPK13
SCHEMBL4049176 0.72 MAPT (0.47) MAPK14TGFBR1PIK3CA
SCHEMBL3939765 0.72 MAPK14 (0.45) PTGS1PTGS2MAPK14GCGRMAPK13
SCHEMBL8212288 0.72 AKT1 (0.53) MAPK14TGFBR1PRKACARPS6KB1GSK3B
SCHEMBL8212313 0.72 MAPT (0.45) ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (5 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS1 1/4885PTGS2 3/4885MAPK14 1846/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS1 1/4885PTGS2 3/4885MAPK14 1690/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 PTGS1 2/4885PTGS2 3/4885MAPK14 1805/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS1 1/4885PTGS2 3/4885MAPK14 1690/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS1 1/4885PTGS2 3/4885MAPK14 1690/4885

“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.