SCHEMBL3073575

SCHEMBL3073575

N#Cc1c(N)ccnc1-c1cccc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.44
PIK3CB P42338 5/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
ATR Q13535 2/20 0.39
LRRK2 Q5S007 1/20 0.38
DHFR P00374 1/20 0.37
ASH1L Q9NR48 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35

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
SCHEMBL29709559 0.80 PIK3CD (0.44) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL3073581 0.80 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL5482010 0.72 LMNA (0.56) PIK3CDPIK3CGLRRK2PRKACAPRKACG
SCHEMBL1146447 0.71 IMPDH2 (0.44) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL31431130 0.70 IMPDH2 (0.39) PRKACAPRKACGPRKACBCYP19A1AHR
SCHEMBL5480716 0.69 ADORA2A (0.56)
SCHEMBL4146232 0.68 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGABL1DHFR
SCHEMBL3615777 0.68 GSK3B (0.67) PIK3CDPIM1PRKACAPRKACGPRKACB
SCHEMBL29709511 0.68 ASH1L (0.50) PIK3CDPIK3CBPIK3CGABL1ATR
SCHEMBL5329331 0.67 ADORA1 (0.56)

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 PIK3CD 674/4885PIK3CB 741/4885PIK3CG 855/4885

“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.