SCHEMBL7015533

SCHEMBL7015533

COc1nc(NC(=O)c2ccco2)c(C#N)c(-c2ccccc2F)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 13/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
APAF1 O14727 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7015455 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7019913 0.82 MAPK8 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2
SCHEMBL7016767 0.82 GRM4 (0.45) SMN1; SMN2ALDH1A1HSD17B10MAPK1NPC1
SCHEMBL7011446 0.82 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HSD17B10MAPK1RAB9A
SCHEMBL7018816 0.81 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7013301 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL7021596 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD17B10MAPK1RAB9A
SCHEMBL7021434 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7022639 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7021810 0.81 KISS1R (0.49) KISS1RSMN1; SMN2ALDH1A1MEN1KMT2A

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 KISS1R 463/4885SMN1; SMN2 1303/4885ALDH1A1 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.