SCHEMBL4034397

SCHEMBL4034397

CC(=O)OCCOc1ccc(C(OC(C)=O)OC(C)=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
P2RY12 Q9H244 3/20 0.40
HTT P42858 1/20 0.39
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ACACB O00763 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
RECQL P46063 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL15764197 0.87 PDE3B (0.39) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL4044221 0.82 PDE3B (0.39) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL4034400 0.81 PDE3B (0.39) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL28904650 0.77 MAPT (0.51) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL30026033 0.77 MAPT (0.51) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL3306255 0.76 PDE3B (0.43) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL3306252 0.76 PDE3B (0.43) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL10030181 0.76 L3MBTL1 (0.55) PDE3BPDE3AP2RY12ALDH1A1L3MBTL1
SCHEMBL3300820 0.75 PDE3B (0.42) PDE3BPDE3AP2RY12HTTAPP
SCHEMBL27774508 0.74 MAPT (0.43) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 US disclosed
EP-2066637-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS Bayer HealthCare AG (DE) 2009-06-10 EP disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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 (2 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-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 PDE3B 508/4885PDE3A 519/4885P2RY12 41/4885
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 PDE3B 508/4885PDE3A 519/4885P2RY12 41/4885

“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.