SCHEMBL2745857

SCHEMBL2745857

O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.85
RAF1 P04049 7/20 0.53
EGFR P00533 2/20 0.49
IKBKB O14920 2/20 0.48
MAPK8 P45983 2/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK1G2 P78368 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CSNK1G1 Q9HCP0 1/20 0.48

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
SCHEMBL2745309 1.00 BRAF (0.85) BRAFRAF1EGFRIKBKBMAPK8
SCHEMBL2745823 0.96 BRAF (0.93) BRAFRAF1EGFRMAPK8ERN1
SCHEMBL2745878 0.95 BRAF (0.77) BRAFRAF1EGFRIKBKBMAPK8
SCHEMBL2746400 0.94 BRAF (0.79) BRAFRAF1EGFRMAPK8ERN1
SCHEMBL2745648 0.92 BRAF (1.00) BRAFRAF1EGFRMAPK8PRKD3
SCHEMBL2746166 0.92 BRAF (1.00) BRAFRAF1EGFRMAPK8PRKD3
SCHEMBL3813148 0.92 BRAF (1.00) BRAFRAF1EGFRMAPK8PRKD3
SCHEMBL14340205 0.92 BRAF (0.86) BRAFRAF1IKBKB
SCHEMBL2745257 0.92 BRAF (0.83) BRAFRAF1EGFRIKBKBMAPK8
SCHEMBL2745926 0.89 BRAF (0.80) BRAFRAF1EGFRMAPK8ERN1

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 16 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
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-20090136499-A1 RAF Inhibitors and Uses Thereof ARQULE, INC. (US) 2009-05-28 US 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-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
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 US disclosed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 US disclosed
WO-2007123892-A2 RAF INHIBITORS AND THEIR USES ARQULE INC. (US) 2007-11-01 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 (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.