SCHEMBL1369147

SCHEMBL1369147

COc1ccc(OC(F)(F)F)cc1C(=O)Nc1ccc(C)c(C(=O)Nc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 15/20 0.53
SCN10A Q9Y5Y9 15/20 0.53
TNIK Q9UKE5 1/20 0.49
CDK8 P49336 1/20 0.47
LCLAT1 Q6UWP7 1/20 0.46
BRAF P15056 1/20 0.46
LCK P06239 1/20 0.46
BTK Q06187 1/20 0.46

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
SCHEMBL1366047 0.84 TNIK (0.55) TNIKBRAFLCK
SCHEMBL1366468 0.83 SCN8A (0.50) SCN8ASCN10ATNIKLCLAT1BRAF
SCHEMBL1367068 0.80 SMO (0.54) TNIKBRAFBTK
SCHEMBL1367202 0.77 CA12 (0.51) TNIKCDK8BRAFBTK
SCHEMBL1367200 0.77 CA12 (0.51) TNIKCDK8BRAFBTK
SCHEMBL1368565 0.76 BRAF (0.55) BRAFLCKBTK
SCHEMBL1366253 0.76 TNIK (0.49) TNIKCDK8BTK
SCHEMBL1366247 0.76 TNIK (0.49) TNIKCDK8BTK
SCHEMBL1367223 0.76 PIK3CA (0.49) TNIKBRAFLCK
SCHEMBL1367416 0.76 TNIK (0.49) TNIKCDK8BTK

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 SCN8A 2900/4885SCN10A 2783/4885TNIK 257/4885

“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.