SCHEMBL1146451

SCHEMBL1146451

N#Cc1ccc(-c2ccc3[nH]ccc3c2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
NPC1 O15118 1/20 0.45
LRRK2 Q5S007 5/20 0.44
PRKCQ Q04759 1/20 0.43
FGFR2 P21802 1/20 0.43
FLT3 P36888 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FYN P06241 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
BRD4 O60885 1/20 0.40
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1146652 0.79 IMPDH2 (0.45) IMPDH2IMPDH1NPC1LRRK2PRKCQ
SCHEMBL722260 0.77 FGFR2 (0.54) NPC1LRRK2FGFR2FLT3CA12
SCHEMBL17149330 0.75 IMPDH2 (0.54) IMPDH2IMPDH1NPC1PRKCQCA12
SCHEMBL3073584 0.73 ATR (0.47) IMPDH2IMPDH1PRKCQFLT3KDR
SCHEMBL1146448 0.73 PRKCQ (0.60) IMPDH2IMPDH1LRRK2PRKCQFYN
SCHEMBL20657870 0.73 KDM4E (0.45) NPC1CYP3A4CYP2D6ADORA2AADORA1
SCHEMBL5329336 0.73 ADORA1 (0.56) CYP3A4ADORA2AADORA1
SCHEMBL1146449 0.72 IMPDH2 (0.44) IMPDH2IMPDH1NPC1LRRK2PRKCQ
SCHEMBL1146651 0.72 LRRK2 (0.49) IMPDH2IMPDH1NPC1LRRK2PRKCQ
SCHEMBL1146649 0.71 BRD4 (0.50) IMPDH2IMPDH1NPC1LRRK2PRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors WYETH LLC (US) 2011-02-03 US disclosed
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 (2 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-20110028455-A1 Indole-substituted 3-cyanopyridines As Kinase Inhibitors CNKSR1, CSNK1G3, GRK3 IMPDH2 1516/4885IMPDH1 1338/4885NPC1 4131/4885
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 IMPDH2 2461/4885IMPDH1 1723/4885NPC1 1800/4885

“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.