SCHEMBL3551822

SCHEMBL3551822

N#Cc1c(N)nc(OCc2ccccn2)c(C#N)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.52
ADORA2A P29274 6/20 0.47
HSD17B10 Q99714 4/20 0.47
ADRA2A P08913 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 1/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 3/20 0.45
RXFP1 Q9HBX9 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL7016245 0.84 ALDH1A1 (0.67) ADORA1ADORA2AHSD17B10KDM4EADORA3
SCHEMBL3550981 0.83 ADORA1 (0.60) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL6441455 0.83 ADORA1 (0.66) ADORA1ADORA2AHSD17B10HTTKDM4E
SCHEMBL28379366 0.81 KDM4E (0.58) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL7018629 0.81 ADORA1 (0.54) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL5041645 0.81 ADORA1 (0.57) ADORA1ADORA2AADORA2BSQOR
SCHEMBL6441414 0.80 MGMT (0.55) ADORA1ADORA2AKDM4EADORA3ALDH1A1
SCHEMBL3545741 0.80 RXFP1 (0.55) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL7016201 0.80 ADORA1 (0.68) ADORA1ADORA2AHSD17B10ADRA2AHTT
SCHEMBL6443037 0.78 SQOR (0.51) ADORA1ADORA2ALMNAL3MBTL1SQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368320-B1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-08-16 EP claimed
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 ADORA1 3/4885ADORA2A 1/4885HSD17B10 3538/4885

“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.