SCHEMBL3544656

SCHEMBL3544656

Cc1nc(COc2nc(N)c(C#N)c(-c3ccc4c(c3)OCCO4)c2C#N)cs1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.56
ADORA2A P29274 1/20 0.56
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
ADORA2B P29275 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
SCHEMBL4029514 0.82 CLK1 (0.49) ADORA1ADORA2AALDH1A1NPC1RAB9A
SCHEMBL3554077 0.76 ADORA1 (0.78) ADORA1ADORA2AALDH1A1NPC1SMN1; SMN2
SCHEMBL3552401 0.76 ADORA1 (0.64) ADORA1ADORA2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3539872 0.75 ADORA1 (0.69) ADORA1ADORA2AALDH1A1NPC1SMN1; SMN2
SCHEMBL3549098 0.74 ADORA1 (0.72) ADORA1ADORA2AALDH1A1NPC1SMN1; SMN2
SCHEMBL3342911 0.71 ADORA1 (0.59) ADORA1ADORA2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4024284 0.71 ADORA1 (0.58) ADORA1ADORA2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3548181 0.71 ADORA1 (0.62) ADORA1ADORA2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13848745 0.69 ADORA1 (0.52) ADORA1ADORA2AALDH1A1NPC1RAB9A
SCHEMBL3551560 0.69 ADORA1 (0.62) ADORA1ADORA2AALDH1A1NPC1RAB9A

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.