SCHEMBL1366473

SCHEMBL1366473

Cc1c(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc4[nH]ccc4c3)c2)cnn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.60
NPC1 O15118 15/20 0.60
PKM P14618 3/20 0.60
BRAF P15056 1/20 0.57
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NAMPT P43490 1/20 0.50
ROCK1 Q13464 1/20 0.48
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL1366577 0.79 BRAF (0.60) RAB9ANPC1BRAFSMN1; SMN2MEN1
SCHEMBL1367764 0.79 BRAF (0.58) RAB9ANPC1BRAFROCK1PIK3CA
SCHEMBL1367758 0.79 BRAF (0.58) RAB9ANPC1BRAFROCK1PIK3CA
SCHEMBL1367761 0.79 BRAF (0.58) RAB9ANPC1BRAFROCK1PIK3CA
SCHEMBL1365186 0.79 BRAF (0.59) RAB9ANPC1BRAFSMN1; SMN2MEN1
SCHEMBL1366062 0.75 BRAF (0.62) BRAFPIK3CAMTOR
SCHEMBL1366429 0.75 PIK3CA (0.48) RAB9ANPC1PKMBRAFSMN1; SMN2
SCHEMBL17420246 0.75 NPC1 (0.55) RAB9ANPC1BRAFKMT2APIK3CA
SCHEMBL1369483 0.74 BRAF (0.63) RAB9ANPC1BRAFPIK3CAMTOR
SCHEMBL1368109 0.74 BRAF (0.52) RAB9ANPC1BRAFHPGDNFKB1

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 RAB9A 991/4885NPC1 1424/4885PKM 308/4885

“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.