SCHEMBL1368098

SCHEMBL1368098

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1C(=O)Nc1cnc2[nH]ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.54
MAPK14 Q16539 17/20 0.53
LCK P06239 4/20 0.50
KDR P35968 2/20 0.50
RAF1 P04049 1/20 0.50
SMO Q99835 1/20 0.49
ABL1 P00519 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
SRC P12931 1/20 0.49
MAPK9 P45984 1/20 0.49
TEK Q02763 1/20 0.49

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
SCHEMBL4119706 0.93 MAPK14 (0.59) BRAFMAPK14LCKKDRRAF1
SCHEMBL1368109 0.90 BRAF (0.52) BRAFMAPK14LCKKDRCSF1R
SCHEMBL1367311 0.88 MAPK14 (0.55) BRAFMAPK14LCKKDRRAF1
Hydrochloric Acid SCHEMBL1365281 0.87 MAPK14 (0.54) BRAFMAPK14LCKKDRRAF1
SCHEMBL1367963 0.86 SMN1; SMN2 (0.56) KDR
Hydrochloric Acid SCHEMBL4516290 0.83 MAPK14 (0.51) BRAFMAPK14LCKKDRCSF1R
SCHEMBL17420246 0.82 NPC1 (0.55) BRAFMAPK14LCKKDR
SCHEMBL1367887 0.82 HTT (0.49) BRAFMAPK14KDRRAF1
SCHEMBL1368499 0.81 BRAF (0.55) BRAFMAPK14LCKKDR
SCHEMBL4124428 0.79 MAPT (0.55) BRAFMAPK14LCKKDR

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 35/4885MAPK14 147/4885LCK 185/4885

“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.