SCHEMBL7023686

SCHEMBL7023686

COc1nc(N)c(C#N)c(C2CCCN(C(=O)OC(C)(C)C)C2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
NSD2 O96028 1/20 0.39
HPGDS O60760 1/20 0.37
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PARP1 P09874 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
PDE4B Q07343 1/20 0.37
PIK3CD O00329 2/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL5742800 0.79 ALDH1A1 (0.45) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL14161110 0.75 GPR119 (0.43) MAPTNSD2JAK2GPR119
SCHEMBL5741166 0.73 IKBKB (0.41) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL25363244 0.73 TRPV3 (0.51) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL26024707 0.73 TRPV3 (0.51) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL31208013 0.73 TRPV3 (0.51) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL4946551 0.72 IKBKB (0.70)
SCHEMBL4944907 0.72 IKBKB (0.57)
SCHEMBL29457541 0.72 PIK3CD (0.52) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL27211435 0.72 PIK3CD (0.52) MEN1ALDH1A1MAPTKMT2AALOX5AP

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 MEN1 2381/4885ALDH1A1 3292/4885MAPT 1220/4885

“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.