SCHEMBL7014126

SCHEMBL7014126

N#Cc1c(N)nc(OCCO)c(C#N)c1-c1ccsc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.65
RET P07949 12/20 0.51
ABL1 P00519 2/20 0.49
ALK Q9UM73 2/20 0.49
PDE3A Q14432 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7016201 0.83 ADORA1 (0.68) ADORA1ALDH1A1MAPK1HSD17B10
SCHEMBL6462280 0.82 ADORA1 (0.63) ADORA1ALDH1A1MAPK1HSD17B10
SCHEMBL7018471 0.82 RET (0.58) ADORA1RETABL1ALKPDE3A
SCHEMBL6466193 0.79 ADORA1 (0.60) ADORA1ALDH1A1MAPK1HSD17B10
SCHEMBL26632985 0.78 ADORA1 (0.61) ADORA1ALDH1A1MAPK1HSD17B10
SCHEMBL7019128 0.76 ALDH1A1 (0.79) ADORA1ALDH1A1MAPK1HSD17B10
SCHEMBL1421425 0.76 ADORA1 (0.56) ADORA1PDE3AALDH1A1HSD17B10
SCHEMBL3549098 0.75 ADORA1 (0.72) ADORA1ALDH1A1MAPK1HSD17B10
SCHEMBL1421834 0.74 KDM4E (0.62) ADORA1ALDH1A1HSD17B10
SCHEMBL6440940 0.73 HSD17B10 (0.62) ADORA1ALDH1A1MAPK1HSD17B10

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 1628/4885RET 2565/4885ABL1 2866/4885

“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.