SCHEMBL7016311

SCHEMBL7016311

N#Cc1c(N)nc(O)c(C#N)c1-c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.50
KDM4E B2RXH2 10/20 0.49
HSD17B10 Q99714 7/20 0.49
HPGD P15428 6/20 0.49
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 3/20 0.49
ALOX15 P16050 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
ADORA2A P29274 6/20 0.47
ALDH1A1 P00352 6/20 0.47
ADRA2A P08913 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL935583 0.87 ADORA2A (0.61) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL12163763 0.80 ADORA1 (0.51) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL12553020 0.80 ADORA1 (0.56) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL7013023 0.79 ADORA3 (0.65) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL6461004 0.76 KDM4E (0.70) ADORA1KDM4EHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL7021740 0.75 KDM4E (0.68) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL15286738 0.75 ADORA1 (0.43) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL3602052 0.74 ADORA1 (0.58) ADORA1KDM4EHSD17B10HPGDMAPT
SCHEMBL7011406 0.73 ADORA2A (0.70) ADORA1KDM4EHSD17B10HPGDRXFP1
SCHEMBL14872208 0.73 ADORA2A (0.49) ADORA1KDM4EHSD17B10HPGDMAPT

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 1628/4885KDM4E 369/4885HSD17B10 3642/4885

“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.