SCHEMBL7017342

SCHEMBL7017342

COc1nc(O)c(C#N)c(-c2ccccc2F)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 1/20 0.52
SQOR Q9Y6N5 12/20 0.47
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GAA P10253 1/20 0.41
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
ADORA2A P29274 1/20 0.39
CUL4A Q13619 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL7018672 0.84 ALDH1A1 (0.72) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL7022233 0.80 SQOR (0.57) ALDH1A1HSD17B10SQORGAAADORA1
SCHEMBL7013276 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL7015455 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL7013301 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL7011446 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL28750844 0.78 ADORA2A (0.47) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL7022639 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORGSK3A
SCHEMBL7018816 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7021596 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORGSK3A

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 3 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
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN 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 ALDH1A1 3292/4885MAPK1 2493/4885HSD17B10 3642/4885

“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.