SCHEMBL3076233

SCHEMBL3076233

CCOc1cncc(C#N)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.43
PIP4K2A P48426 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL169815 0.79 CYP11B1 (0.49) CDK5PLK4CHEK1AURKACHUK
SCHEMBL3075627 0.73 KDR (0.43) CDK5PIP4K2APLK4CHEK1AURKA
SCHEMBL7219741 0.73 CYP11B1 (0.44) CDK5PLK4CHEK1AURKACHUK
SCHEMBL249967 0.71 CA12 (0.49) PIP4K2AAOC3CYP11B1CYP11B2LMNA
SCHEMBL7316953 0.71 PIP4K2A (0.48) PIP4K2AAOC3CYP11B1CYP11B2KDM4E
SCHEMBL5451 0.70 SMN1; SMN2 (0.51) KDM4ELMNAALDH1A1MAPK1NPSR1
SCHEMBL30283197 0.70 SMN1; SMN2 (0.51) KDM4ELMNAALDH1A1MAPK1NPSR1
SCHEMBL1146381 0.69 ALDH1A1 (0.47) CDK5PLK4CHEK1AURKACHUK
Hydrochloric Acid SCHEMBL27764098 0.69 NPC1 (0.50) KDM4ELMNAALDH1A1MAPK1NPSR1
SCHEMBL1146481 0.68 ALDH1A1 (0.47) CDK5PLK4CHEK1AURKACHUK

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
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP claimed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO claimed
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 CDK5 137/4885PIP4K2A 506/4885PLK4 102/4885

“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.