SCHEMBL3811230

SCHEMBL3811230

CC(=NO)c1cccc(-c2nc3sccn3c2-c2ccnc(N[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.66
RAF1 P04049 9/20 0.47
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
LCK P06239 2/20 0.44
KDR P35968 2/20 0.44
ERN1 O75460 1/20 0.43
ABL1 P00519 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
NTRK2 Q16620 1/20 0.43
HIPK1 Q86Z02 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FLT1 P17948 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
SCHEMBL13838936 1.00 BRAF (0.66) BRAFRAF1EGFRERBB2LCK
SCHEMBL3811225 1.00 BRAF (0.66) BRAFRAF1EGFRERBB2LCK
SCHEMBL13839407 0.94 BRAF (0.67) BRAFRAF1EGFRERBB2LCK
SCHEMBL3811222 0.94 BRAF (0.69) BRAFRAF1EGFRERBB2LCK
SCHEMBL13838935 0.93 BRAF (0.66) BRAFRAF1EGFRERBB2LCK
SCHEMBL3808687 0.93 BRAF (0.66) BRAFRAF1EGFRERBB2LCK
SCHEMBL3808685 0.93 BRAF (0.66) BRAFRAF1EGFRERBB2LCK
SCHEMBL3808440 0.92 BRAF (0.70) BRAFRAF1EGFRERBB2LCK
SCHEMBL3817387 0.91 BRAF (0.69) BRAFRAF1EGFRERBB2LCK
SCHEMBL3817394 0.91 BRAF (0.69) BRAFRAF1EGFRERBB2LCK

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 6 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 claimed
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 claimed
US-20070281955-A1 RAF inhibitors and their uses ARQULE, INC. 2007-12-06 US claimed
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-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 BRAF 1/4885RAF1 2/4885EGFR 271/4885
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.