SCHEMBL1367567

SCHEMBL1367567

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BTK Q06187 6/20 0.52
LCK P06239 4/20 0.52
BLK P51451 3/20 0.52
KDR P35968 3/20 0.52
MAPK14 Q16539 2/20 0.52
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
FKBP5 Q13451 1/20 0.50
BRAF P15056 5/20 0.48
CYP2C9 P11712 2/20 0.48
SYK P43405 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL1367507 0.94 BLK (0.58) NPC1RAB9AKMT2ASMN1; SMN2BTK
SCHEMBL1367950 0.93 BTK (0.61) NPC1RAB9ASMN1; SMN2BTKLCK
SCHEMBL1367508 0.85 BTK (0.60) NPC1RAB9AKMT2ASMN1; SMN2BTK
SCHEMBL1367511 0.85 BTK (0.60) NPC1RAB9AKMT2ASMN1; SMN2BTK
SCHEMBL17420246 0.83 NPC1 (0.55) NPC1RAB9AKMT2ABTKLCK
SCHEMBL3993077 0.82 SMN1; SMN2 (0.48) NPC1RAB9AKMT2ASMN1; SMN2BTK
SCHEMBL1367088 0.82 BLK (0.45) NPC1RAB9AKMT2ASMN1; SMN2BTK
SCHEMBL1136378 0.81 MMP2 (0.53) NPC1RAB9AKMT2ABTKLCK
SCHEMBL27755013 0.81 BTK (0.45) NPC1RAB9AKMT2ASMN1; SMN2BTK
SCHEMBL2947887 0.79 BTK (0.72) BTKLCKBLKKDRMAPK14

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
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN 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
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN 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 NPC1 1424/4885RAB9A 991/4885KMT2A 1755/4885

“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.