SCHEMBL7084462

SCHEMBL7084462

CSc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MAPK14 Q16539 9/20 0.45
MAPK13 O15264 5/20 0.45
MAPK12 P53778 5/20 0.45
MAPK11 Q15759 5/20 0.45
ALOX5 P09917 4/20 0.45
GCGR P47871 2/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
RET P07949 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MATK P42679 1/20 0.45
FRK P42685 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45

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
SCHEMBL7089338 0.87 ESR1 (0.43) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7090769 0.85 MAPK14 (0.61) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7087800 0.85 ESR1 (0.47) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7085276 0.84 ESR1 (0.52) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7089423 0.84 ESR1 (0.52) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7084459 0.84 ESR1 (0.46) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7089373 0.84 ESR1 (0.52) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7087963 0.83 ESR1 (0.68) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7090556 0.83 ESR1 (0.53) ESR1ESR2MAPK14MAPK13MAPK12
SCHEMBL7085556 0.82 ESR1 (0.51) ESR1ESR2MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (1 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 ESR1 3743/4885ESR2 2211/4885MAPK14 1523/4885

“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.