SCHEMBL7019633

SCHEMBL7019633

N#Cc1c(N)nc(Oc2cccc(C(=O)O)c2)c(C#N)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.51
ADORA1 P30542 7/20 0.50
AKR1C3 P42330 1/20 0.48
PLAU P00749 1/20 0.46
ADORA2A P29274 3/20 0.44
ADRA2A P08913 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F10 P00742 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ELAVL1 Q15717 1/20 0.42
KMO O15229 1/20 0.42

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
SCHEMBL7016113 0.83 ADORA1 (0.55) IKBKBADORA1ADORA2AHSD17B10ALDH1A1
SCHEMBL3356574 0.83 ADORA1 (0.61) IKBKBADORA1ADORA2AHPGDMEN1
SCHEMBL19356919 0.78 ADORA2A (0.52) ADORA1ADORA2AADRA2AHTTHSD17B10
SCHEMBL3331988 0.75 ADORA1 (0.53) ADORA1HSD17B10ALDH1A1HPGDMEN1
SCHEMBL245416 0.74 ADORA1 (0.86) ADORA1ADORA2AADORA3
SCHEMBL19356918 0.73 ADORA2A (0.56) ADORA1ADORA2AADRA2AHTTHSD17B10
SCHEMBL7019121 0.73 ADORA1 (0.55) ADORA1PLAUADORA2AHSD17B10ALDH1A1
SCHEMBL15287087 0.73 ADORA1 (0.52) IKBKBADORA1ADORA2AHSD17B10ALDH1A1
SCHEMBL3359530 0.72 ADORA1 (0.63) ADORA1ADORA2AELAVL1
SCHEMBL7011406 0.72 ADORA2A (0.70) ADORA1ADORA2AADRA2AHTTHSD17B10

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 IKBKB 1030/4885ADORA1 1628/4885AKR1C3 3114/4885

“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.