SCHEMBL5386836

SCHEMBL5386836

NNc1nc(Nc2ccccn2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.67
ADORA2B P29275 2/20 0.67
ADORA3 P0DMS8 1/20 0.66
ADORA1 P30542 1/20 0.66
CYP1A2 P05177 2/20 0.62
THPO P40225 1/20 0.62
MEN1 O00255 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
BLM P54132 1/20 0.62
PGK1 P00558 1/20 0.60
PGK2 P07205 1/20 0.60

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
SCHEMBL3954518 1.00 ADORA2A (0.67) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL3954259 0.89 CYP1A2 (0.76) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5399739 0.89 CYP1A2 (0.76) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL4804644 0.89 ADORA3 (0.70) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL1120534 0.87 ADORA3 (0.66) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5384030 0.87 ADORA1 (0.68) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL3947524 0.87 ADORA1 (0.68) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5393072 0.83 ADORA3 (0.77) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5389657 0.83 ADORA3 (0.77) ADORA2AADORA2BADORA3ADORA1CYP1A2
SCHEMBL5392874 0.83 PGK1 (0.73) ADORA2AADORA2BADORA3CYP1A2THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1414837-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20040116376-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-17 US disclosed
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 US 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-20030078232-A1 Adenosine receptor A3 agonists ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 4/4885ADORA3 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.