SCHEMBL3551969

SCHEMBL3551969

CCOc1nc(NCCOC)c(C#N)c(-c2ccc3c(c2)OCO3)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.53
ADORA2A P29274 3/20 0.53
ADORA2B P29275 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
SYK P43405 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX12 P18054 2/20 0.40
CLK1 P49759 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 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
SCHEMBL3552614 0.90 ADORA1 (0.52) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL3550969 0.88 ADORA1 (0.49) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL13036594 0.84 ADORA1 (0.55) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL13036587 0.82 ADORA1 (0.65) ADORA1ADORA2AALDH1A1KDM4ENPC1
SCHEMBL3551560 0.81 ADORA1 (0.62) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL3554077 0.80 ADORA1 (0.78) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL3554495 0.79 ADORA1 (0.56) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL13036592 0.79 ADORA1 (0.56) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL13036578 0.79 ADORA1 (0.47) ADORA1ADORA2AADORA2BALDH1A1KDM4E
SCHEMBL13036593 0.78 ADORA1 (0.60) ADORA1ADORA2AADORA2BALDH1A1KDM4E

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 1/4885ADORA2B 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.