SCHEMBL1366047

SCHEMBL1366047

COc1cc(OC)c(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.55
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KIT P10721 1/20 0.50
BRAF P15056 7/20 0.49
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1367068 0.87 SMO (0.54) TNIKKMT2AMEN1KITBRAF
SCHEMBL1369147 0.84 SCN8A (0.53) TNIKBRAFLCK
SCHEMBL1367416 0.82 TNIK (0.49) TNIKKMT2ARAB9AMEN1NPC1
SCHEMBL1366253 0.82 TNIK (0.49) TNIKKMT2ARAB9AMEN1NPC1
SCHEMBL1367223 0.82 PIK3CA (0.49) TNIKKMT2ARAB9AMEN1NPC1
SCHEMBL1366247 0.82 TNIK (0.49) TNIKKMT2ARAB9AMEN1NPC1
SCHEMBL17420246 0.82 NPC1 (0.55) KMT2ARAB9ANPC1KITBRAF
SCHEMBL4503280 0.81 P4HTM (0.52) TNIKKITBRAFPIK3CAMTOR
SCHEMBL1367200 0.81 CA12 (0.51) TNIKKMT2ARAB9AMEN1NPC1
SCHEMBL1367202 0.81 CA12 (0.51) TNIKKMT2ARAB9AMEN1NPC1

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 TNIK 257/4885KMT2A 1755/4885RAB9A 991/4885

“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.