SCHEMBL3073584

SCHEMBL3073584

N#Cc1ccc(-c2cccc3[nH]ccc23)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.47
PIK3CD O00329 5/20 0.46
DHFR P00374 1/20 0.43
ADORA2A P29274 2/20 0.42
GSK3B P49841 4/20 0.41
DYRK1A Q13627 2/20 0.41
NFATC1 O95644 1/20 0.41
PIK3CB P42338 3/20 0.39
MAP2K1 Q02750 1/20 0.38
PIK3CG P48736 2/20 0.38
PIM1 P11309 2/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ASH1L Q9NR48 1/20 0.37
PRKCA P17252 2/20 0.37
FLT3 P36888 2/20 0.37
PRKCQ Q04759 2/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKACA P17612 1/20 0.37

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
SCHEMBL29709511 0.74 ASH1L (0.50) ATRPIK3CDDHFRADORA2APIK3CB
SCHEMBL1146451 0.73 IMPDH2 (0.49) ADORA2AFLT3PRKCQKDRIMPDH2
SCHEMBL7096071 0.73 IMPDH2 (0.49) PIK3CDADORA2APIK3CBPIK3CGASH1L
SCHEMBL3073580 0.73 PIK3CD (0.46) PIK3CDDHFRPIK3CBPIK3CGPRKCQ
SCHEMBL1807650 0.73 MEN1 (0.66) ATRPIK3CDDHFRPIK3CBKDM4E
SCHEMBL3615777 0.71 GSK3B (0.67) PIK3CDGSK3BDYRK1ANFATC1PIM1
SCHEMBL25395833 0.71 MPL (0.50) ATRADORA2AKDM4EMEN1ALDH1A1
SCHEMBL4945706 0.71 IKBKB (0.52) PIM1
SCHEMBL30309353 0.70 IMPDH2 (0.57) PIK3CDDYRK1AMAP2K1PRKCQPRKCD
SCHEMBL403956 0.70 IMPDH2 (0.57) PIK3CDDYRK1AMAP2K1PRKCQPRKCD

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 ATR 535/4885PIK3CD 674/4885DHFR 3347/4885

“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.