SCHEMBL3546792

SCHEMBL3546792

N#Cc1c(NCCO)nc(OCc2ccccc2)c(C#N)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.55
ACHE P22303 7/20 0.47
ADORA1 P30542 6/20 0.46
BCHE P06276 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7018055 0.85 SQOR (0.50) SQORACHEADORA1BCHEKDM4E
SCHEMBL3544165 0.85 ADORA1 (0.47) SQORADORA1KDM4EALDH1A1LMNA
SCHEMBL4034221 0.82 ALDH1A1 (0.59) ACHEADORA1BCHEKDM4EALDH1A1
SCHEMBL5746478 0.81 SQOR (0.66) SQORADORA1ALDH1A1MEN1KMT2A
SCHEMBL3550009 0.78 ACHE (0.59) ACHEADORA1BCHEKDM4EALDH1A1
SCHEMBL13849151 0.78 ALDH1A1 (0.54) ACHEADORA1BCHEKDM4EALDH1A1
SCHEMBL14705999 0.77 ALDH1A1 (0.54) ACHEADORA1BCHEKDM4EALDH1A1
SCHEMBL13036502 0.77 ADORA1 (0.58) ACHEADORA1KDM4EALDH1A1MAPT
SCHEMBL13036501 0.77 ADORA1 (0.67) ADORA1ADORA2A
SCHEMBL11924436 0.76 ALDH1A1 (0.52) ACHEADORA1KDM4EALDH1A1LMNA

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 SQOR 1413/4885ACHE 1203/4885ADORA1 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.