SCHEMBL3550009

SCHEMBL3550009

N#Cc1c(Cl)nc(NCCO)c(C#N)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.59
BCHE P06276 5/20 0.57
ADORA1 P30542 3/20 0.52
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL13849151 0.84 ALDH1A1 (0.54) ACHEBCHEADORA1KDM4EALDH1A1
SCHEMBL4034221 0.83 ALDH1A1 (0.59) ACHEBCHEADORA1KDM4EALDH1A1
SCHEMBL7018055 0.81 SQOR (0.50) ACHEBCHEADORA1KDM4EALDH1A1
SCHEMBL4031424 0.80 ADORA1 (0.48) ACHEBCHEADORA1KDM4EALDH1A1
SCHEMBL13036501 0.80 ADORA1 (0.67) ADORA1
SCHEMBL26632971 0.79 ADORA1 (0.61) ACHEBCHEADORA1KDM4EALDH1A1
SCHEMBL13036502 0.78 ADORA1 (0.58) ACHEADORA1KDM4EALDH1A1HSD17B10
SCHEMBL3546792 0.78 SQOR (0.55) ACHEBCHEADORA1KDM4EALDH1A1
SCHEMBL161948 0.78 L3MBTL1 (0.60) ACHEADORA1KDM4EALDH1A1LMNA
SCHEMBL14705999 0.76 ALDH1A1 (0.54) ACHEBCHEADORA1KDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
EP-1368320-B1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-08-16 EP disclosed
US-20050261502-A1 Substituted 2-oxy-3,5-dicyano-4-aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 US disclosed
EP-1368320-A1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070484-A1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 WO 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-20050261502-A1 Substituted 2-oxy-3,5-dicyano-4-aryl-6-aminopyridines and use thereof ADORA2A, ADORA3, ADORA1 ACHE 1203/4885BCHE 2838/4885ADORA1 3/4885

“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.