SCHEMBL5397146

SCHEMBL5397146

COc1ccc(-c2c[nH]nc2-c2nc(NCc3ccccc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.58
ADORA1 P30542 7/20 0.58
ADORA2A P29274 3/20 0.58
TP53 P04637 1/20 0.57
SLC29A1 Q99808 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PGK1 P00558 1/20 0.53
PGK2 P07205 1/20 0.53
NT5E P21589 1/20 0.52

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
SCHEMBL5389595 0.92 ADORA3 (0.70) ADORA3ADORA1ADORA2A
SCHEMBL5392557 0.91 ADORA3 (0.53) ADORA3ADORA1ADORA2ASLC29A1
SCHEMBL5384034 0.91 ADORA3 (0.65) ADORA3ADORA1ADORA2A
SCHEMBL5380309 0.91 ADORA2A (0.52) ADORA3ADORA1ADORA2A
SCHEMBL6257480 0.91 ADORA2A (0.52) ADORA3ADORA1ADORA2A
SCHEMBL5380408 0.90 ADORA3 (0.65) ADORA3ADORA1ADORA2ASLC29A1PGK1
SCHEMBL5384061 0.90 ADORA3 (0.64) ADORA3ADORA1ADORA2A
SCHEMBL5390140 0.88 ADORA3 (0.54) ADORA3ADORA1ADORA2A
SCHEMBL5380458 0.88 ADORA1 (0.54) ADORA3ADORA1ADORA2A
SCHEMBL5397394 0.87 ADORA3 (0.54) ADORA3ADORA1ADORA2A

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 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885

“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.