SCHEMBL3544165

SCHEMBL3544165

N#Cc1c(NCCO)nc(OCc2ccccc2)c(C#N)c1-c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.47
ADORA2A P29274 6/20 0.46
SQOR Q9Y6N5 1/20 0.44
ADORA2B P29275 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MAOB P27338 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
CYP1A2 P05177 3/20 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
SCHEMBL3554495 0.90 ADORA1 (0.56) ADORA1ADORA2ASQORADORA2BALDH1A1
SCHEMBL3550969 0.90 ADORA1 (0.49) ADORA1ADORA2ASQORADORA2BALDH1A1
SCHEMBL3553018 0.87 ADORA1 (0.52) ADORA1ADORA2ASQORADORA2BALDH1A1
SCHEMBL3552614 0.87 ADORA1 (0.52) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3552143 0.87 ADORA1 (0.46) ADORA1ADORA2ASQORADORA2BALDH1A1
SCHEMBL3544664 0.85 ADORA1 (0.47) ADORA1ADORA2ASQORADORA2BALDH1A1
SCHEMBL3546792 0.85 SQOR (0.55) ADORA1ADORA2ASQORALDH1A1MAPT
SCHEMBL3548712 0.83 ADORA1 (0.55) ADORA1ADORA2ASQORADORA2BALDH1A1
SCHEMBL13036577 0.82 ADORA1 (0.56) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3539872 0.82 ADORA1 (0.69) ADORA1ADORA2ASQORADORA2BALDH1A1

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 5 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

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 ADORA1 3/4885ADORA2A 1/4885SQOR 1413/4885

“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.