SCHEMBL7020982

SCHEMBL7020982

N#Cc1c(N)nc(OCC(O)CO)c(C#N)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.54
▸ KCNA5 P22460 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ ADORA2A P29274 7/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 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
SCHEMBL7016201 0.84 ADORA1 (0.68) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL28379366 0.80 KDM4E (0.58) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL7018629 0.80 ADORA1 (0.54) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL26632985 0.76 ADORA1 (0.61) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL13913689 0.76 ADORA1 (0.70) ADORA1ADORA2AALDH1A1MEN1KMT2A
SCHEMBL28383673 0.75 KDM4E (0.66) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL3550981 0.75 ADORA1 (0.60) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL3551822 0.75 ADORA1 (0.52) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL19356919 0.75 ADORA2A (0.52) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL7011406 0.74 ADORA2A (0.70) ADORA1ADORA2AHSD17B10ADRA2AHTT

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 1628/4885KCNA5 41/4885KCNH2 14/4885

“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.

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