SCHEMBL7090773

SCHEMBL7090773

Cc1csc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPK14 Q16539 13/20 0.43
MAPK13 O15264 9/20 0.43
MAPK12 P53778 9/20 0.43
MAPK11 Q15759 9/20 0.43
GCGR P47871 7/20 0.43
TGFBR1 P36897 1/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.38
PRKD3 O94806 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
SCHEMBL7089424 0.84 MAPK14 (0.46) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL7089362 0.82 TGFBR1 (0.39) ESR1ESR2TGFBR1MAPTKDM4E
SCHEMBL11087423 0.80 BRAF (0.45) BRAFESR1ESR2MAPK14MAPK13
SCHEMBL7089149 0.79 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7085451 0.79 MAPK14 (0.42) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL9005989 0.78 ESR1 (0.65) BRAFESR1ESR2MAPK14MAPK13
SCHEMBL7088589 0.75 PTGS2 (0.43) ESR1ESR2MAPK14MAPK11TGFBR1
SCHEMBL7089184 0.75 ALOX5 (0.41) ESR1ESR2MAPK14TGFBR1LMNA
SCHEMBL4553347 0.74 MAPK14 (0.76) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL7085589 0.74 MAPK14 (0.38) BRAFMAPK14MAPK13MAPK12MAPK11

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 7 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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 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 BRAF 2230/4885ESR1 3743/4885ESR2 2211/4885

“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.