SCHEMBL5483517

SCHEMBL5483517

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.60
HSD17B10 Q99714 5/20 0.60
HTT P42858 3/20 0.60
ADRA2A P08913 1/20 0.60
KDM4E B2RXH2 6/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 7/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADORA1 P30542 6/20 0.49
PTPN1 P18031 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5483513 0.79 HSD17B10 (0.72) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL11037564 0.79 HSD17B10 (0.77) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL7094514 0.73 ALDH1A1 (0.55) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL5321147 0.73 ADORA1 (0.77) ADORA2AADORA1
SCHEMBL5483590 0.73 SQOR (0.56) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL12992409 0.73 ALDH1A1 (0.50) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL7011406 0.73 ADORA2A (0.70) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL11008493 0.72 HTT (0.59) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL5482012 0.72 KDM4E (0.58) ADORA2AHSD17B10HTTADRA2AKDM4E
SCHEMBL22198972 0.71 HSD17B10 (0.53) ADORA2AHSD17B10HTTADRA2AKDM4E

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 ADORA2A 1009/4885HSD17B10 4631/4885HTT 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.