SCHEMBL2745625

SCHEMBL2745625

COc1cccc(-c2nc3sccn3c2-c2ccnc(NC3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.55
BRAF P15056 19/20 0.55
ABL1 P00519 2/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
ROS1 P08922 1/20 0.51
FLT1 P17948 1/20 0.51
KDR P35968 1/20 0.51
GSK3B P49841 1/20 0.51
BTK Q06187 1/20 0.51
MAP4K2 Q12851 1/20 0.51
STK3 Q13188 1/20 0.51
TAOK1 Q7L7X3 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
SCHEMBL2745347 0.89 RAF1 (0.55) RAF1BRAFABL1ERN1FGFR1
SCHEMBL2746031 0.84 RAF1 (0.61) RAF1BRAFABL1ERN1FGFR1
SCHEMBL2746718 0.83 BRAF (0.60) RAF1BRAFABL1ERN1FGFR1
SCHEMBL2745807 0.83 BRAF (0.53) RAF1BRAF
SCHEMBL2746370 0.82 RAF1 (0.62) RAF1BRAFABL1ERN1FGFR1
SCHEMBL14392018 0.81 RAF1 (0.57) RAF1BRAFABL1ERN1FGFR1
SCHEMBL3811246 0.81 RAF1 (0.61) RAF1BRAFABL1ERN1FGFR1
SCHEMBL2745578 0.81 RAF1 (0.55) RAF1BRAFABL1ERN1FGFR1
SCHEMBL2746128 0.80 BRAF (0.59) RAF1BRAFABL1ERN1FGFR1
SCHEMBL3826920 0.79 BRAF (0.57) RAF1BRAFABL1ERN1FGFR1

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
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 RAF1 2/4885BRAF 1/4885ABL1 31/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 RAF1 277/4885BRAF 181/4885ABL1 75/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ABL1 26/4885

“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.