SCHEMBL1366062

SCHEMBL1366062

O=C(O)c1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.62
KIT P10721 1/20 0.50
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
KDR P35968 2/20 0.44
HDAC8 Q9BY41 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
RIPK1 Q13546 1/20 0.43
ABL1 P00519 1/20 0.42
PPARG P37231 1/20 0.42
TNIK Q9UKE5 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
SCHEMBL1369057 0.91 BRAF (0.62) BRAFKITPIK3CAMTORKDR
SCHEMBL1368457 0.91 BRAF (0.57) BRAFKITPIK3CAMTORKDR
SCHEMBL4107604 0.90 BRAF (0.61) BRAFKITPIK3CAMTORKDR
SCHEMBL1367425 0.86 KIT (0.56) BRAFKITPIK3CAMTORABL1
SCHEMBL1369483 0.85 BRAF (0.63) BRAFKITPIK3CAMTORKDR
SCHEMBL1366577 0.84 BRAF (0.60) BRAFPIK3CAMTORKDRPPARG
SCHEMBL1366044 0.84 BRAF (0.58) BRAFKITPIK3CAMTORKDR
SCHEMBL1366968 0.83 BRAF (0.50) BRAFKITPIK3CAMTORKDR
SCHEMBL1367284 0.82 BRAF (0.60) BRAFKDRMAOBMAOA
SCHEMBL4120142 0.81 BRAF (0.53) BRAFKDR

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 BRAF 35/4885KIT 1200/4885PIK3CA 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.