SCHEMBL4804644

SCHEMBL4804644

Nc1nc(Nc2ccccn2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.70
ADORA1 P30542 2/20 0.70
PGK1 P00558 1/20 0.68
PGK2 P07205 1/20 0.68
ADORA2A P29274 2/20 0.68
SLC29A1 Q99808 4/20 0.65
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 2/20 0.59
ADORA2B P29275 1/20 0.59
THPO P40225 1/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 1/20 0.59
BLM P54132 1/20 0.59

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 0.89 ADORA2A (0.67) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL5386836 0.89 ADORA2A (0.67) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL1120534 0.89 ADORA3 (0.66) ADORA3ADORA1ADORA2ASLC29A1CYP2C19
SCHEMBL5384030 0.89 ADORA1 (0.68) ADORA3ADORA1ADORA2ACYP1A2ADORA2B
SCHEMBL3947524 0.89 ADORA1 (0.68) ADORA3ADORA1ADORA2ACYP1A2ADORA2B
SCHEMBL4808305 0.88 CYP1A2 (0.73) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL9080619 0.84 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL5879756 0.84 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL9080624 0.84 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2ADORA2A
SCHEMBL8820659 0.84 ADORA3 (0.82) ADORA3ADORA1PGK1PGK2ADORA2A

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 3/4885ADORA1 1/4885PGK1 1806/4885

“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.