SCHEMBL3947852

SCHEMBL3947852

NNc1nc(NCc2ccc(Cl)cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.65
ADORA2B P29275 4/20 0.65
SLC29A1 Q99808 2/20 0.62
ADORA3 P0DMS8 4/20 0.61
ADORA1 P30542 3/20 0.61
PGK1 P00558 2/20 0.60
PGK2 P07205 2/20 0.60
TP53 P04637 1/20 0.59
TDP1 Q9NUW8 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
SCHEMBL5383886 1.00 ADORA2A (0.65) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL3949633 0.91 PGK1 (0.73) ADORA2AADORA2BSLC29A1ADORA3PGK1
SCHEMBL5392874 0.91 PGK1 (0.73) ADORA2AADORA2BSLC29A1ADORA3PGK1
SCHEMBL4806847 0.89 PGK1 (0.71) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL5381003 0.89 ADORA3 (0.75) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL3955616 0.89 ADORA3 (0.75) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL5381010 0.84 ADORA3 (0.79) ADORA2AADORA2BADORA3ADORA1
SCHEMBL638136 0.84 SLC29A1 (0.82) ADORA2ASLC29A1ADORA3ADORA1TP53
SCHEMBL17825905 0.84 SLC29A1 (0.82) ADORA2ASLC29A1ADORA3ADORA1TP53
SCHEMBL20626338 0.84 SLC29A1 (0.82) ADORA2ASLC29A1ADORA3ADORA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 US disclosed
US-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
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
EP-1881991-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-01-30 EP disclosed
US-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 US 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
WO-2006125211-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 (3 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885SLC29A1 124/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885SLC29A1 124/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885SLC29A1 124/4885

“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.