SCHEMBL7773159

SCHEMBL7773159

COc1ccc(-c2cn(CCN(C)C)nc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS2 P35354 8/20 0.53
PTGS1 P23219 5/20 0.47
SLC6A3 Q01959 1/20 0.42
GAA P10253 1/20 0.42
BRAF P15056 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
BMP1 P13497 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL7780139 0.90 MEN1 (0.58) MEN1KMT2APTGS2
SCHEMBL7780590 0.87 PTGS2 (0.64) MEN1KMT2APTGS2PTGS1BRAF
SCHEMBL7777758 0.87 PTGS2 (0.55) MEN1KMT2APTGS2PTGS1BRAF
SCHEMBL7780767 0.86 PTGS2 (0.54) MEN1KMT2APTGS2PTGS1BRAF
SCHEMBL7780135 0.86 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7779412 0.86 KMT2A (0.69) MEN1KMT2APTGS2PTGS1SLC6A3
SCHEMBL7779698 0.85 MEN1 (0.59) MEN1KMT2APTGS2PTGS1JAK2
SCHEMBL7773284 0.83 PTGS2 (0.55) PTGS2PTGS1BRAFMAPK3MAPK1
SCHEMBL7779982 0.82 MEN1 (0.55) MEN1KMT2APTGS2PTGS1JAK2
SCHEMBL7780866 0.81 KMT2A (0.54) MEN1KMT2APTGS2PTGS1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed