SCHEMBL7021847

SCHEMBL7021847

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 12/20 0.56
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
ADRA2A P08913 1/20 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
SCHEMBL21992094 0.84 ADORA2A (0.47) KDM4EALDH1A1RXFP1MAPTHSD17B10
SCHEMBL28383673 0.82 KDM4E (0.66) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL1421642 0.82 SQOR (0.56) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL7022233 0.82 SQOR (0.57) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL7020664 0.82 SQOR (0.56) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL7015266 0.77 SQOR (0.55) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL22208258 0.77 SQOR (0.60) SQORKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5483590 0.76 SQOR (0.56) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL4072588 0.76 SQOR (0.56) SQORKDM4EALDH1A1RXFP1MAPT
SCHEMBL5483588 0.74 SQOR (0.54) SQORKDM4EALDH1A1RXFP1MAPT

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 846/4885KDM4E 369/4885ALDH1A1 3292/4885

“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.