SCHEMBL3818486

SCHEMBL3818486

Fc1ccc(CN2CCCC(Nc3nccc(-c4c(-c5ccc(F)cc5)nc5sccn45)n3)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.71
RAF1 P04049 5/20 0.49
MAPK8 P45983 4/20 0.47
PRKD3 O94806 3/20 0.47
MAP4K4 O95819 3/20 0.47
MAPK9 P45984 3/20 0.47
CSNK1A1 P48729 3/20 0.47
GSK3B P49841 3/20 0.47
CSNK1G2 P78368 3/20 0.47
MINK1 Q8N4C8 3/20 0.47
PRKD2 Q9BZL6 3/20 0.47
CSNK1G1 Q9HCP0 3/20 0.47
CSNK1G3 Q9Y6M4 3/20 0.47
MAPK1 P28482 2/20 0.47
GSK3A P49840 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
CSNK1D P48730 2/20 0.47
CDK2 P24941 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL3808543 0.91 BRAF (0.72) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL3809266 0.90 BRAF (0.63) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL3814156 0.84 BRAF (0.68) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL3811056 0.84 BRAF (0.70) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL3808571 0.83 BRAF (0.84) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL3814445 0.83 BRAF (0.72) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL13920818 0.83 BRAF (0.65) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL2746166 0.83 BRAF (1.00) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL3813148 0.83 BRAF (1.00) BRAFRAF1MAPK8PRKD3MAP4K4
SCHEMBL2745648 0.83 BRAF (1.00) BRAFRAF1MAPK8PRKD3MAP4K4

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 10 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
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 (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 BRAF 1/4885RAF1 2/4885MAPK8 301/4885
US-20090136499-A1 RAF Inhibitors and Uses Thereof BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885MAPK8 298/4885

“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.