SCHEMBL1367425

SCHEMBL1367425

Cc1ccc(C(=O)O)cc1C(=O)Nc1cnc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.56
PIK3CA P42336 3/20 0.53
MTOR P42345 3/20 0.53
BRAF P15056 11/20 0.49
ABL1 P00519 2/20 0.45
SRC P12931 1/20 0.45
TNIK Q9UKE5 1/20 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
SCHEMBL1367427 0.91 KIT (0.56) KITPIK3CAMTORBRAFABL1
SCHEMBL4114192 0.90 PIK3CA (0.55) KITPIK3CAMTORBRAFABL1
SCHEMBL1366062 0.86 BRAF (0.62) KITPIK3CAMTORBRAFABL1
SCHEMBL17420246 0.85 NPC1 (0.55) KITPIK3CAMTORBRAF
SCHEMBL1367204 0.85 KIT (0.50) KITPIK3CAMTORBRAFABL1
SCHEMBL1367703 0.85 PIK3CA (0.60) KITPIK3CAMTORBRAFABL1
SCHEMBL4120001 0.83 EPHX2 (0.46) KITPIK3CAMTORBRAFABL1
SCHEMBL4113859 0.82 KIT (0.56) KITPIK3CAMTORBRAFABL1
SCHEMBL4503280 0.82 P4HTM (0.52) KITPIK3CAMTORBRAFABL1
SCHEMBL1368423 0.81 KIT (0.53) KITPIK3CAMTORBRAFABL1

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 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 KIT 1200/4885PIK3CA 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.