SCHEMBL3553018

SCHEMBL3553018

CNc1nc(OCc2ccccc2)c(C#N)c(-c2ccc3c(c2)OCO3)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.52
ADORA2A P29274 6/20 0.52
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
ADORA2B P29275 3/20 0.47
SQOR Q9Y6N5 1/20 0.45
ALOX15 P16050 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
USP2 O75604 1/20 0.44

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 0.91 ADORA1 (0.56) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL3544664 0.88 ADORA1 (0.47) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL3550969 0.87 ADORA1 (0.49) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL3544165 0.87 ADORA1 (0.47) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL3552143 0.86 ADORA1 (0.46) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL3548712 0.86 ADORA1 (0.55) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL3539872 0.85 ADORA1 (0.69) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL13037076 0.85 ADORA1 (0.52) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL13036575 0.81 ADORA1 (0.52) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL6445033 0.77 ADORA1 (0.69) ADORA1ADORA2AMAPTKDM4EALDH1A1

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 6 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
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 ADORA1 3/4885ADORA2A 1/4885MAPT 4562/4885

“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.