SCHEMBL1367508

SCHEMBL1367508

Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1C(=O)Nc1cnc2[nH]cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.60
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP1 P03956 7/20 0.46
MMP2 P08253 7/20 0.46
MMP9 P14780 7/20 0.46
EGFR P00533 5/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 1/20 0.42
CDK8 P49336 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1367511 1.00 BTK (0.60) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL27755013 0.87 BTK (0.45) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1367567 0.85 NPC1 (0.52) BTKNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1136434 0.84 BTK (0.57) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1136433 0.84 BTK (0.57) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1367507 0.82 BLK (0.58) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1367950 0.81 BTK (0.61) BTKNPC1RAB9ASMN1; SMN2
SCHEMBL1136426 0.79 BTK (0.52) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1136425 0.79 BTK (0.52) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1136399 0.78 BTK (0.53) BTKNPC1RAB9AEGFR

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 6 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
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 BTK 334/4885NPC1 1424/4885RAB9A 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.