SCHEMBL7087775

SCHEMBL7087775

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
MAPK13 O15264 4/20 0.55
MAPK12 P53778 4/20 0.55
MAPK11 Q15759 4/20 0.55
RAF1 P04049 1/20 0.55
MAPK9 P45984 1/20 0.55
BRD4 O60885 1/20 0.47
NR3C2 P08235 1/20 0.44
MAPK10 P53779 1/20 0.44
GSK3B P49841 1/20 0.42
TNIK Q9UKE5 1/20 0.40
CYP3A4 P08684 2/20 0.39
GCGR P47871 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
PDPK1 O15530 1/20 0.37
IDO1 P14902 2/20 0.37
TGFBR1 P36897 2/20 0.37
BMPR1A P36894 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
SCHEMBL8815350 0.83 NR3C2 (0.40) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL10989579 0.82 KDM5B (0.40) MAPK14CYP3A4KDM4EMAPTPDPK1
SCHEMBL7089424 0.78 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL10992179 0.75 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL10892833 0.74 KDM4E (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7090773 0.74 BRAF (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL30023185 0.73 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7833395 0.73 PTGS2 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7085451 0.73 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7089149 0.73 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9

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 MAPK14 1523/4885MAPK13 2251/4885MAPK12 2078/4885

“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.