SCHEMBL3811246

SCHEMBL3811246

COc1cccc(-c2nc3sccn3c2-c2ccnc(NC3CCN(S(C)(=O)=O)CC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 20/20 0.61
BRAF P15056 20/20 0.61
ABL1 P00519 2/20 0.57
FGFR1 P11362 2/20 0.57
FLT3 P36888 2/20 0.57
MAPK8 P45983 2/20 0.57
MAPK11 Q15759 2/20 0.57
MAPK14 Q16539 2/20 0.57
NTRK2 Q16620 2/20 0.57
HIPK1 Q86Z02 2/20 0.57
MAP3K20 Q9NYL2 2/20 0.57
ERN1 O75460 1/20 0.57

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
SCHEMBL3816910 0.91 BRAF (0.63) RAF1BRAFABL1FGFR1FLT3
SCHEMBL2745507 0.89 BRAF (0.60) RAF1BRAFABL1FGFR1FLT3
SCHEMBL2745874 0.89 BRAF (0.67) RAF1BRAFABL1FGFR1FLT3
SCHEMBL3811132 0.89 BRAF (0.59) RAF1BRAFABL1FGFR1FLT3
SCHEMBL3813284 0.87 BRAF (0.63) RAF1BRAFABL1FGFR1FLT3
SCHEMBL2746370 0.87 RAF1 (0.62) RAF1BRAFABL1FGFR1FLT3
SCHEMBL3813074 0.86 BRAF (0.62) RAF1BRAFABL1FGFR1FLT3
SCHEMBL3811202 0.86 BRAF (0.61) RAF1BRAFABL1FGFR1FLT3
SCHEMBL3817500 0.85 PRKD3 (0.55) RAF1BRAFMAPK8
SCHEMBL2746031 0.85 RAF1 (0.61) RAF1BRAFABL1FGFR1FLT3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-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.