SCHEMBL940191

SCHEMBL940191

CCC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2nc(NCCc3ccc(CCC=O)cc3)nc(N)c21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA2B P29275 3/20 0.46
ADORA3 P0DMS8 1/20 0.43
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37

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
SCHEMBL2295173 0.91 ADORA2A (0.48) ADORA2AADORA2BADORA3PGK1PGK2
SCHEMBL1081739 0.91 ADORA2A (0.57) ADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL6754870 0.90 ADORA2A (0.56) ADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL2031973 0.89 ADORA2A (0.55) ADORA2AADORA2BADORA3
SCHEMBL724838 0.88 ADORA2A (0.47) ADORA2AADORA2BADORA3
SCHEMBL5690283 0.85 ADORA2A (0.35) ADORA2AADORA2BADORA3
SCHEMBL726188 0.82 ADORA2A (0.46) ADORA2AADORA2BADORA3
SCHEMBL5689599 0.80 ADORA2A (0.37) ADORA2AADORA2BADORA3
SCHEMBL258936 0.78 LMNA (0.36) ADORA2AADORA3
SCHEMBL177666 0.76 HSPA8 (0.44) ADORA2AADORA2BADORA3

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996453-B1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 2004-04-28 EP claimed
US-8338411-B2 Compounds SANOFI (FR) 2012-12-25 US disclosed
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 EP disclosed
US-8071601-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-7964731-B2 Isotopically marked quinoline derivatives as adenosin A3 receptor ligands SANOFI-AVENTIS (FR) 2011-06-21 US disclosed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-2167470-B1 TRIAZOLO [1, 5-A]QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-03-16 EP disclosed
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-7799922-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2010-09-21 US disclosed
EP-1814857-B1 ISOTOPICALLY MARKED QUINOLINE DERIVATIVES AS ADENOSIN A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2010-09-01 EP disclosed
EP-1456204-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS Sanofi-Aventis (FR) 2004-09-15 EP disclosed
EP-1456205-A1 IMIDAZOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2004-09-15 EP disclosed
EP-0996453-B1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 2004-04-28 EP disclosed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP disclosed
WO-2003053969-A1 IMIDAZOQUINOLINE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-07-03 WO disclosed
WO-2003053968-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2003-07-03 WO disclosed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 WO disclosed
US-6110902-A IMPLANTING ENCAPSIDATED ADENOSINE RELEASING CELLS TO DELIVER A CONTINUOUS LOCAL DOSE OF ADENOSINE INTO THE BRAIN OF THE PATIENT MOEHLER HANNS (CH) 2000-08-29 US disclosed
EP-0996453-A1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE Mohler, Hanns (CH) 2000-05-03 EP disclosed
WO-1998058653-A1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 1998-12-30 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-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA2B 3/4885ADORA3 1/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA2B 3/4885ADORA3 1/4885

“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.