SCHEMBL1366054

SCHEMBL1366054

O=C(Nc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(Cl)cc1F)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.47
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
CDK8 P49336 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 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
SCHEMBL1366465 0.82 BRAF (0.49) BRAFSCN8ASCN10A
SCHEMBL1366468 0.80 SCN8A (0.50) BRAFSCN8ASCN10A
SCHEMBL4106117 0.80 BRAF (0.54) BRAF
SCHEMBL1368279 0.78 BRAF (0.55) BRAF
SCHEMBL31171386 0.78 BRAF (0.54) BRAFSCN8ASCN10ACDK8
SCHEMBL1369149 0.78 MEN1 (0.49) BRAF
SCHEMBL1365192 0.78 BRAF (0.46) BRAF
SCHEMBL1367368 0.77 BRAF (0.44) BRAFNTRK1
SCHEMBL1366699 0.75 CYP1A2 (0.52) BRAF
SCHEMBL1366444 0.75 BRAF (0.52) BRAF

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-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
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN claimed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO 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
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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 (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 1448/4885NTRK2 1904/4885

“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.