SCHEMBL7022233

SCHEMBL7022233

COc1nc(O)c(C#N)c(-c2ccccc2)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 6/20 0.57
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 5/20 0.44
ADORA1 P30542 4/20 0.44
ADRA2A P08913 2/20 0.42
HTT P42858 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
SCHEMBL14872208 0.84 ADORA2A (0.49) ALDH1A1KDM4EMAPTRXFP1HSD17B10
SCHEMBL28383673 0.82 KDM4E (0.66) SQORALDH1A1KDM4EMAPTRXFP1
SCHEMBL7020664 0.82 SQOR (0.56) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL7021847 0.82 SQOR (0.56) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL1421642 0.82 SQOR (0.56) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL7017342 0.80 ALDH1A1 (0.52) SQORALDH1A1GAAHSD17B10ADORA2A
SCHEMBL7015266 0.80 SQOR (0.55) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL1421659 0.77 ALDH1A1 (0.50) SQORALDH1A1KDM4EMAPTGAA
SCHEMBL935583 0.76 ADORA2A (0.61) ALDH1A1KDM4EMAPTRXFP1HSD17B10
SCHEMBL7018055 0.76 SQOR (0.50) SQORALDH1A1KDM4EMAPTGAA

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 SQOR 846/4885ALDH1A1 3292/4885KDM4E 369/4885

“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.