SCHEMBL2745823

SCHEMBL2745823

O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)C1

nearest known ligand 0.93

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.93
RAF1 P04049 9/20 0.52
EGFR P00533 2/20 0.48
ERN1 O75460 1/20 0.46
ABL1 P00519 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
NTRK2 Q16620 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
MAP3K20 Q9NYL2 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
SCHEMBL2746166 0.96 BRAF (1.00) BRAFRAF1EGFRERN1ABL1
SCHEMBL3813148 0.96 BRAF (1.00) BRAFRAF1EGFRERN1ABL1
SCHEMBL14340205 0.96 BRAF (0.86) BRAFRAF1
SCHEMBL2745648 0.96 BRAF (1.00) BRAFRAF1EGFRERN1ABL1
SCHEMBL2745309 0.96 BRAF (0.85) BRAFRAF1EGFRERN1ABL1
SCHEMBL2745857 0.96 BRAF (0.85) BRAFRAF1EGFRERN1ABL1
SCHEMBL2745926 0.93 BRAF (0.80) BRAFRAF1EGFRERN1ABL1
SCHEMBL2745808 0.93 BRAF (0.80) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL2746400 0.93 BRAF (0.79) BRAFRAF1EGFRERN1ABL1
SCHEMBL2745902 0.92 BRAF (0.89) BRAFRAF1EGFRERN1ABL1

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
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

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.