SCHEMBL7015455

SCHEMBL7015455

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
GAA P10253 1/20 0.43
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 1/20 0.41
SQOR Q9Y6N5 6/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
ADORA1 P30542 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.38
IKBKB O14920 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7011446 0.89 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7022182 0.88 MAPK8 (0.47) ALDH1A1HSD17B10MAPK8MAPK9GAA
SCHEMBL7021596 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7021434 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7022639 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7018816 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7013301 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7020733 0.87 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL7020448 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1MAPK8MAPK9
SCHEMBL28750844 0.86 ADORA2A (0.47) ALDH1A1HSD17B10MAPK1GAAADORA3

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 6 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 claimed
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN claimed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP claimed
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 3292/4885HSD17B10 3642/4885MAPK1 2493/4885

“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.