SCHEMBL7016113

SCHEMBL7016113

COc1nc(N)c(C#N)c(-c2cccc(C(=O)O)c2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.55
ADORA2A P29274 4/20 0.55
IKBKB O14920 1/20 0.52
KDM4E B2RXH2 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL7019121 0.90 ADORA1 (0.55) ADORA1ADORA2AKDM4ERXFP1MEN1
SCHEMBL26632999 0.84 ADORA2A (0.60) ADORA1ADORA2AKDM4ERXFP1MEN1
Hydrochloric Acid SCHEMBL7012517 0.83 ADORA1 (0.48) ADORA1ADORA2AKDM4ERXFP1MEN1
SCHEMBL7019633 0.83 IKBKB (0.51) ADORA1ADORA2AIKBKBKDM4ERXFP1
SCHEMBL28383673 0.82 KDM4E (0.66) ADORA1ADORA2AKDM4ERXFP1MEN1
SCHEMBL7019095 0.82 ADORA1 (0.60) ADORA1ADORA2AKDM4ERXFP1MEN1
SCHEMBL7023837 0.80 ADORA1 (0.56) ADORA1ADORA2AKDM4ERXFP1MEN1
SCHEMBL3356574 0.79 ADORA1 (0.61) ADORA1ADORA2AIKBKBMEN1HPGD
SCHEMBL7020305 0.77 ALDH1A1 (0.60) ADORA1ADORA2AKDM4ERXFP1MEN1
SCHEMBL31215453 0.77 ADORA1 (0.55) ADORA1ADORA2AKDM4ERXFP1MEN1

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 ADORA1 1628/4885ADORA2A 2417/4885IKBKB 1030/4885

“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.