SCHEMBL1367368

SCHEMBL1367368

O=C(Nc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(Cl)cc1F)c1ccn(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
NTRK1 P04629 4/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1367174 0.78 NPC1 (0.44) BRAFPIK3CAMTORNPC1RAB9A
SCHEMBL1367887 0.77 HTT (0.49) BRAFNPC1RAB9A
SCHEMBL1366054 0.77 BRAF (0.47) BRAFNTRK1
SCHEMBL1366465 0.77 BRAF (0.49) BRAFNPC1RAB9A
SCHEMBL1365192 0.76 BRAF (0.46) BRAF
SCHEMBL1366699 0.75 CYP1A2 (0.52) BRAFPIK3CAMTORNPC1RAB9A
SCHEMBL1368279 0.75 BRAF (0.55) BRAFPIK3CAMTORNPC1RAB9A
SCHEMBL1366219 0.75 BRAF (0.44) BRAFPIK3CAMTORNPC1RAB9A
SCHEMBL1369149 0.75 MEN1 (0.49) BRAFNPC1RAB9A
SCHEMBL1365428 0.74 BRAF (0.53) BRAFPIK3CAMTORNPC1RAB9A

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 35/4885NTRK1 1448/4885PIK3CA 155/4885

“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.