SCHEMBL3075627

SCHEMBL3075627

CCOc1c(OC)ncc(C#N)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
CDK1 P06493 4/20 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
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
FLT4 P35916 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
SCHEMBL7015403 0.80 SQOR (0.51) KDRCDK1PLK4CHEK1AURKA
SCHEMBL5480719 0.76 KDM4E (0.48) KDRCDK1PLK4CHEK1AURKA
SCHEMBL1146381 0.76 ALDH1A1 (0.47) KDRCDK1PLK4CHEK1AURKA
SCHEMBL1146481 0.75 ALDH1A1 (0.47) KDRCDK1PLK4CHEK1AURKA
SCHEMBL1146506 0.73 KDM4E (0.50) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL3086562 0.73 RET (0.42) KDRCDK1PLK4CHEK1AURKA
SCHEMBL3070847 0.73 L3MBTL1 (0.41) KDRCDK1PLK4CHEK1AURKA
SCHEMBL3076233 0.73 CDK5 (0.43) KDRCDK1PLK4CHEK1AURKA
SCHEMBL16575411 0.68 PDE4A (0.47) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL30846906 0.67 LTA4H (0.43) KDM4EALDH1A1LMNAMAPK1MAPT

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 KDR 1209/4885CDK1 34/4885PLK4 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.