SCHEMBL2745807

SCHEMBL2745807

COc1cccc(-c2nc3sccn3c2-c2ccnc(N[C@@H]3CCCN(C(=O)Nc4ccc(N(C)C)cc4)C3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.53
RAF1 P04049 18/20 0.53
PTK2 Q05397 1/20 0.51
CDK19 Q9BWU1 1/20 0.51

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
SCHEMBL3814527 0.92 BRAF (0.57) BRAFRAF1PTK2CDK19
SCHEMBL2745347 0.92 RAF1 (0.55) BRAFRAF1PTK2CDK19
SCHEMBL3808625 0.91 RAF1 (0.55) BRAFRAF1PTK2CDK19
SCHEMBL3810703 0.91 BRAF (0.55) BRAFRAF1PTK2CDK19
SCHEMBL2745330 0.88 BRAF (0.54) BRAFPTK2
SCHEMBL3816969 0.88 BRAF (0.56) BRAFRAF1PTK2CDK19
SCHEMBL2746128 0.88 BRAF (0.59) BRAFRAF1
SCHEMBL14392018 0.85 RAF1 (0.57) BRAFRAF1PTK2CDK19
SCHEMBL2746513 0.85 BRAF (0.56) BRAFRAF1PTK2CDK19
SCHEMBL2746510 0.85 BRAF (0.56) BRAFRAF1PTK2CDK19

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 17 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
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-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 2/4885PTK2 339/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 BRAF 181/4885RAF1 277/4885PTK2 206/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885PTK2 320/4885

“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.