SCHEMBL1367758

SCHEMBL1367758

C/C(=C\C(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.58
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
DEGS1 O15121 1/20 0.43
KIT P10721 1/20 0.43
NPC1 O15118 2/20 0.42
JAK2 O60674 2/20 0.42
RAB9A P51151 2/20 0.42
JAK1 P23458 1/20 0.42
PDGFRB P09619 2/20 0.42
CDK7 P50613 2/20 0.42
PLK4 O00444 1/20 0.42
DCLK1 O15075 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
INSR P06213 1/20 0.42
CDK1 P06493 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
SCHEMBL1367761 1.00 BRAF (0.58) BRAFPIK3CAMTORDEGS1KIT
SCHEMBL1367764 1.00 BRAF (0.58) BRAFPIK3CAMTORDEGS1KIT
SCHEMBL1365186 0.83 BRAF (0.59) BRAFNPC1JAK2RAB9APDGFRB
SCHEMBL1366577 0.82 BRAF (0.60) BRAFPIK3CAMTORNPC1RAB9A
SCHEMBL1366473 0.79 RAB9A (0.60) BRAFPIK3CAMTORNPC1RAB9A
SCHEMBL1366223 0.79 BRAF (0.55) BRAFNPC1RAB9ACDK8MAPT
SCHEMBL1366226 0.79 BRAF (0.55) BRAFNPC1RAB9ACDK8MAPT
SCHEMBL1366062 0.78 BRAF (0.62) BRAFPIK3CAMTORKITKDR
SCHEMBL17420246 0.78 NPC1 (0.55) BRAFPIK3CAMTORKITNPC1
SCHEMBL1368519 0.77 BRAF (0.57) BRAFPIK3CAMTORKITNPC1

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 8 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
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
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 35/4885PIK3CA 155/4885MTOR 64/4885

“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.