SCHEMBL5483513

SCHEMBL5483513

Cc1nc(N)c(-c2ccccc2)c(C)c1C#N

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.72
ADORA2A P29274 5/20 0.72
HTT P42858 2/20 0.72
ADRA2A P08913 2/20 0.72
KDM4E B2RXH2 10/20 0.61
RXFP1 Q9HBX9 2/20 0.57
ALDH1A1 P00352 9/20 0.55
HPGD P15428 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ADORA1 P30542 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP1 P29466 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL11037564 0.87 HSD17B10 (0.77) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL5483517 0.79 ADORA2A (0.60) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL7011406 0.75 ADORA2A (0.70) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL8974906 0.75 HSD17B10 (0.68) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL11008493 0.74 HTT (0.59) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL8299115 0.74 KDM4E (0.80) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL16479797 0.73 ALDH1A1 (0.64) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL12072170 0.73 ADORA2A (0.53) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL5483521 0.72 KDM4E (0.64) HSD17B10ADORA2AHTTADRA2AKDM4E
SCHEMBL5321147 0.72 ADORA1 (0.77) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 HSD17B10 4631/4885ADORA2A 1009/4885HTT 4209/4885

“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.