SCHEMBL1368519

SCHEMBL1368519

O=C(/C=C/c1cncnc1)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.57
CDK8 P49336 6/20 0.46
KIT P10721 1/20 0.42
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1368528 1.00 BRAF (0.57) BRAFCDK8KITPIK3CAMTOR
SCHEMBL1366159 0.82 BRAF (0.54) BRAFCDK8KITPIK3CAMTOR
SCHEMBL1366164 0.82 BRAF (0.54) BRAFCDK8KITPIK3CAMTOR
SCHEMBL1366223 0.81 BRAF (0.55) BRAFCDK8KDM4ENPC1RAB9A
SCHEMBL1366226 0.81 BRAF (0.55) BRAFCDK8KDM4ENPC1RAB9A
SCHEMBL1366076 0.80 BRAF (0.52) BRAFCDK8PIK3CAMTORCDK7
SCHEMBL1366073 0.80 BRAF (0.52) BRAFCDK8PIK3CAMTORCDK7
SCHEMBL1367758 0.77 BRAF (0.58) BRAFCDK8KITPIK3CAMTOR
SCHEMBL1367764 0.77 BRAF (0.58) BRAFCDK8KITPIK3CAMTOR
SCHEMBL1367761 0.77 BRAF (0.58) BRAFCDK8KITPIK3CAMTOR

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-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA BRAF 35/4885CDK8 314/4885KIT 1200/4885

“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.