SCHEMBL4808332

SCHEMBL4808332

CCCNc1nc(-c2nnn[nH]2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.59
PGK1 P00558 2/20 0.57
PGK2 P07205 2/20 0.57
SLC29A1 Q99808 1/20 0.55
ADORA1 P30542 8/20 0.52
ADORA2A P29274 6/20 0.52
ADORA2B P29275 1/20 0.52
PAX8 Q06710 1/20 0.49

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
SCHEMBL4798221 0.93 ADORA3 (0.58) ADORA3PGK1PGK2SLC29A1ADORA1
SCHEMBL4798374 0.89 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4804718 0.87 PGK1 (0.51) ADORA3PGK1PGK2ADORA1ADORA2A
SCHEMBL4801695 0.86 ADORA3 (0.64) ADORA3PGK1PGK2SLC29A1ADORA1
SCHEMBL4804672 0.85 ADORA3 (0.62) ADORA3SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL4804739 0.84 ADORA3 (0.55) ADORA3SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL4807108 0.84 ADORA3 (0.68) ADORA3SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL5129366 0.84 ADORA3 (0.68) ADORA3SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL5129355 0.84 ADORA3 (0.68) ADORA3SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL4806841 0.84 CYP1A2 (0.63) ADORA3SLC29A1ADORA1ADORA2AADORA2B

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-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 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-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885PGK1 1806/4885PGK2 2787/4885

“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.