SCHEMBL3552143

SCHEMBL3552143

N#Cc1c(NCC2CC2)nc(OCc2ccccc2)c(C#N)c1-c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.46
ADORA2A P29274 6/20 0.46
ADORA2B P29275 3/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
CLK4 Q9HAZ1 3/20 0.42
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
MAOB P27338 1/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 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 0.89 ADORA1 (0.56) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3544664 0.88 ADORA1 (0.47) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3544165 0.87 ADORA1 (0.47) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3553018 0.86 ADORA1 (0.52) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3550969 0.85 ADORA1 (0.49) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL13036580 0.82 ADORA1 (0.49) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3548712 0.82 ADORA1 (0.55) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL3539872 0.81 ADORA1 (0.69) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL13037076 0.81 ADORA1 (0.52) ADORA1ADORA2AADORA2BALDH1A1MAPT
SCHEMBL6445033 0.74 ADORA1 (0.69) ADORA1ADORA2AADORA2BALDH1A1MAPT

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 1/4885ADORA2B 4/4885

“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.