SCHEMBL4806899

SCHEMBL4806899

CCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.85
PGK2 P07205 1/20 0.85
ADORA3 P0DMS8 3/20 0.77
ADORA1 P30542 3/20 0.77
ADORA2B P29275 2/20 0.70
SLC29A1 Q99808 3/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL4804281 0.92 PGK1 (0.81) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL6257693 0.88 ADORA2A (0.71) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL6262513 0.88 ADORA1 (0.71) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL5386790 0.88 ADORA1 (0.71) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL6262523 0.88 ADORA1 (0.71) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL6758941 0.87 ADORA3 (1.00) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL14928752 0.87 ADORA3 (1.00) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL4803033 0.87 ADORA3 (1.00) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL14853634 0.87 ADORA3 (1.00) PGK1PGK2ADORA3ADORA1ADORA2B
SCHEMBL18464461 0.87 ADORA3 (1.00) PGK1PGK2ADORA3ADORA1ADORA2B

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 2 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
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 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-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 PGK1 1806/4885PGK2 2787/4885ADORA3 3/4885

“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.