SCHEMBL2746838

SCHEMBL2746838

O=C(NCc1ccccc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)c(F)c4)nc4sccn34)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.51
RAF1 P04049 5/20 0.49
EGFR P00533 6/20 0.47
FLT3 P36888 2/20 0.47
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
JUN P05412 1/20 0.47
MAPK10 P53779 1/20 0.47
PRKD3 O94806 3/20 0.46
MAP4K4 O95819 3/20 0.46
TAOK1 Q7L7X3 3/20 0.46
PRKD2 Q9BZL6 3/20 0.46
CSNK1D P48730 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
MINK1 Q8N4C8 2/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL2745888 0.92 BRAF (0.56) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL2745594 0.90 BRAF (0.55) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL2745611 0.90 BRAF (0.48) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL13838986 0.89 BRAF (0.51) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL14340317 0.89 BRAF (0.51) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL2746718 0.87 BRAF (0.60) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL14392028 0.85 MAPK14 (0.46) EGFRMAPK8MAPK9JUNMAPK10
SCHEMBL13920818 0.84 BRAF (0.65) BRAFRAF1FLT3MAPK8MAPK9
SCHEMBL2746466 0.82 BRAF (0.54) BRAFRAF1EGFRFLT3MAPK8
SCHEMBL2746248 0.82 BRAF (0.48) BRAFEGFRMAPK8MAPK9PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed
US-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 US disclosed
US-7501430-B2 e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders ARQULE, INC. (US) 2009-03-10 US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 US 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 (3 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-20070281955-A1 RAF inhibitors and their uses BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885EGFR 271/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 BRAF 181/4885RAF1 277/4885EGFR 3374/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885EGFR 306/4885

“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.