SCHEMBL12377464

SCHEMBL12377464

COc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1Br

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.85
HSP90AB1 P08238 1/20 0.64
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GSK3B P49841 3/20 0.48
CDK8 P49336 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
PIM1 P11309 1/20 0.44
IKBKB O14920 1/20 0.44
LIMK1 P53667 1/20 0.44
ABCC1 P33527 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
USP2 O75604 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL429588 0.92 BRAF (1.00) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL2287561 0.90 BRAF (0.89) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL1774806 0.90 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL18537731 0.90 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL12600461 0.86 BRAF (0.84) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL2288722 0.85 BRAF (0.80) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL2289195 0.85 BRAF (0.80) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL1776548 0.85 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL14962911 0.85 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AHPGD
SCHEMBL14955091 0.85 BRAF (0.87) BRAFHSP90AB1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 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 (1 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-20100048558-A1 THIENOPYRIDINES HSP90AB2P, HSP90AB1, HSP90AA1 BRAF 2033/4885HSP90AB1 2/4885MEN1 4504/4885

“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.