SCHEMBL7015403

SCHEMBL7015403

COc1ncc(C#N)c(-c2ccccc2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.51
CDK1 P06493 3/20 0.47
KDR P35968 3/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
CHUK O15111 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
INSR P06213 1/20 0.47
CSF1R P07333 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL5480719 0.81 KDM4E (0.48) SQORCDK1KDRPLK4CHEK1
SCHEMBL3075627 0.80 KDR (0.43) SQORCDK1KDRPLK4CHEK1
SCHEMBL27738558 0.78 ADORA1 (0.53) CDK1KDRPLK4CHEK1AURKA
SCHEMBL243099 0.76 KDR (0.47) CDK1KDRPLK4CHEK1AURKA
SCHEMBL1421642 0.73 SQOR (0.56) SQORALDH1A1MAPTMEN1NPC1
SCHEMBL7021847 0.73 SQOR (0.56) SQORALDH1A1MAPTMEN1NPC1
SCHEMBL28383673 0.73 KDM4E (0.66) SQORGSK3AGSK3BDYRK1AALDH1A1
SCHEMBL7022233 0.73 SQOR (0.57) SQORALDH1A1MAPTMEN1NPC1
SCHEMBL7020664 0.73 SQOR (0.56) SQORALDH1A1MAPTMEN1NPC1
SCHEMBL245867 0.72 ADORA1 (0.52) CDK1KDRALDH1A1MAPTMEN1

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-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 SQOR 846/4885CDK1 1397/4885KDR 3326/4885

“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.