SCHEMBL1366046

SCHEMBL1366046

CC(C)(C)OC(=O)c1cc(C(=O)Nc2cnc3[nH]ccc3c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.53
ABL1 P00519 1/20 0.48
KIT P10721 1/20 0.47
STAT3 P40763 1/20 0.46
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
KDR P35968 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL1366044 0.92 BRAF (0.58) BRAFABL1KITSTAT3PIK3CA
SCHEMBL4119286 0.89 KIT (0.50) BRAFABL1KITPIK3CAMTOR
SCHEMBL1368457 0.84 BRAF (0.57) BRAFABL1KITPIK3CAMTOR
SCHEMBL1367204 0.83 KIT (0.50) BRAFABL1KITPIK3CAMTOR
SCHEMBL1367889 0.81 BRAF (0.59) BRAFKITPIK3CAMTORKDR
SCHEMBL1366062 0.80 BRAF (0.62) BRAFABL1KITPIK3CAMTOR
SCHEMBL1369057 0.80 BRAF (0.62) BRAFABL1KITPIK3CAMTOR
SCHEMBL4107604 0.79 BRAF (0.61) BRAFABL1KITPIK3CAMTOR
Hydrochloric Acid SCHEMBL4498778 0.77 BRAF (0.60) BRAF
SCHEMBL1367284 0.76 BRAF (0.60) BRAFMAOBMAOAKDRKCNQ3

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 35/4885ABL1 45/4885KIT 1200/4885

“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.