SCHEMBL3554077

SCHEMBL3554077

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.78
ADORA2A P29274 6/20 0.78
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 5/20 0.56
USP2 O75604 2/20 0.56
TSHR P16473 2/20 0.56
HPGD P15428 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 4/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.51
ALOX15 P16050 2/20 0.51
ALOX12 P18054 2/20 0.51
NPSR1 Q6W5P4 3/20 0.49

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
SCHEMBL3551560 0.90 ADORA1 (0.62) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL3549098 0.88 ADORA1 (0.72) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL3539872 0.85 ADORA1 (0.69) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL6444638 0.82 ADORA1 (0.65) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL3552401 0.82 ADORA1 (0.64) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL3552614 0.81 ADORA1 (0.52) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL3551969 0.80 ADORA1 (0.53) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL6105552 0.79 ADORA1 (0.69) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL13848718 0.79 ADORA1 (0.59) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL12992732 0.78 ADORA1 (0.71) ADORA1ADORA2AALDH1A1KDM4EHSD17B10

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 7 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
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 1/4885ALDH1A1 426/4885

“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.