SCHEMBL1366429

SCHEMBL1366429

Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1C(=O)Nc1cnc2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
KIT P10721 1/20 0.45
LCK P06239 2/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
BRAF P15056 5/20 0.45
BTK Q06187 3/20 0.43
BLK P51451 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
TNIK Q9UKE5 1/20 0.42
GBA1 P04062 1/20 0.42
TP53 P04637 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
SCHEMBL17420246 0.87 NPC1 (0.55) PIK3CAMTORRAB9ANPC1MAPT
SCHEMBL4120162 0.78 PIK3CA (0.46) PIK3CAMTORRAB9AMAPTKIT
SCHEMBL1368098 0.78 BRAF (0.54) LCKKDRMAPK14BRAF
SCHEMBL1367425 0.77 KIT (0.56) PIK3CAMTORKITBRAFTNIK
SCHEMBL1367068 0.76 SMO (0.54) PIK3CAMTORSMN1; SMN2KITMAPK14
SCHEMBL1367427 0.75 KIT (0.56) PIK3CAMTORRAB9ANPC1SMN1; SMN2
SCHEMBL1366473 0.75 RAB9A (0.60) PIK3CAMTORRAB9ANPC1SMN1; SMN2
SCHEMBL4128043 0.74 KDR (0.63) PIK3CAMTORRAB9ANPC1MAPT
SCHEMBL29429732 0.74 KDR (0.63) PIK3CAMTORRAB9ANPC1MAPT
SCHEMBL4114192 0.74 PIK3CA (0.55) PIK3CAMTORKITLCKKDR

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 4 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

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 PIK3CA 155/4885MTOR 64/4885RAB9A 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.