SCHEMBL2745330

SCHEMBL2745330

CN(C)c1ccc(NC(=O)N2CCC[C@@H](Nc3nccc(-c4c(-c5ccc(F)c(F)c5)nc5sccn45)n3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.54
EGFR P00533 10/20 0.46
IGF1R P08069 10/20 0.44
ERBB2 P04626 9/20 0.44
LCK P06239 4/20 0.42
KDR P35968 4/20 0.42
MAP4K4 O95819 3/20 0.42
MAP4K2 Q12851 3/20 0.42
STK3 Q13188 3/20 0.42
AURKB Q96GD4 3/20 0.42
MAP4K5 Q9Y4K4 3/20 0.42
PRKD3 O94806 2/20 0.42
FYN P06241 2/20 0.42
CSF1R P07333 2/20 0.42
RET P07949 2/20 0.42
TAOK1 Q7L7X3 2/20 0.42
AURKA O14965 1/20 0.42
CHEK2 O96017 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42

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
SCHEMBL2746248 0.92 BRAF (0.48) BRAFEGFRIGF1RERBB2LCK
SCHEMBL2745807 0.88 BRAF (0.53) BRAFPTK2
SCHEMBL3811056 0.87 BRAF (0.70) BRAFEGFRIGF1RERBB2MAP4K4
SCHEMBL2754169 0.84 BRAF (0.49) BRAFEGFRIGF1RERBB2LCK
SCHEMBL3808570 0.83 BRAF (0.60) BRAFEGFRIGF1RERBB2FGFR1
SCHEMBL2745888 0.83 BRAF (0.56) BRAFEGFRIGF1RERBB2LCK
SCHEMBL3814527 0.83 BRAF (0.57) BRAFFGFR1MAP3K20ABL1PTK2
SCHEMBL3809247 0.82 BRAF (0.55) BRAFEGFRIGF1RERBB2FGFR1
SCHEMBL2746204 0.82 EGFR (0.49) BRAFEGFRIGF1RERBB2LCK
SCHEMBL2746307 0.82 BRAF (0.49) BRAFMAP4K4AURKBPRKD3TAOK1

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
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

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 1/4885EGFR 271/4885IGF1R 859/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 BRAF 181/4885EGFR 3374/4885IGF1R 1336/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885EGFR 306/4885IGF1R 916/4885

“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.