SCHEMBL2980462

SCHEMBL2980462

N#Cc1cccnc1Nc1cccc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.52
MTOR P42345 3/20 0.52
PIK3CD O00329 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
PRKCQ Q04759 6/20 0.49
PRKCD Q05655 3/20 0.49
EGFR P00533 1/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
RET P07949 1/20 0.45
HPGD P15428 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL1146188 0.84 PRKCQ (0.54) PRKCQPRKCD
SCHEMBL2980463 0.76 PRKCQ (0.52) PIK3CAPIK3CDPRKCQPRKCDEGFR
SCHEMBL23709530 0.75 EPHB4 (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1716135 0.74 HTT (0.60) KDRHPGDNPC1ALDH1A1RAB9A
SCHEMBL2975972 0.74 GRM4 (0.54) PRKCQPRKCDEGFRKDRHPGD
SCHEMBL30309353 0.73 IMPDH2 (0.57) PIK3CDPRKCQPRKCD
SCHEMBL403956 0.73 IMPDH2 (0.57) PIK3CDPRKCQPRKCD
SCHEMBL2984264 0.73 HPGD (0.52) PRKCQPRKCDEGFRRETHPGD
SCHEMBL20627510 0.72 HPGD (0.50) EGFRHPGDNPC1ALDH1A1RAB9A
SCHEMBL20240627 0.72 HPGD (0.54) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 PIK3CA 576/4885MTOR 348/4885PIK3CD 674/4885

“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.