SCHEMBL3946544

SCHEMBL3946544

NNc1nc(NC2CCOC2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.77
ADORA2B P29275 6/20 0.77
ADORA3 P0DMS8 5/20 0.77
ADORA1 P30542 5/20 0.77
SLC28A1 O00337 1/20 0.73
SLC29A1 Q99808 1/20 0.73
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL5397531 0.91 ADORA2A (0.72) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL3946675 0.91 ADORA2A (0.72) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL4798923 0.89 ADORA3 (0.80) ADORA2AADORA2BADORA3ADORA1SLC28A1
SCHEMBL5033794 0.89 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL3952630 0.89 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL4803658 0.88 ADORA2A (0.75) ADORA2AADORA2BADORA3ADORA1MEN1
SCHEMBL4190562 0.88 ADORA1 (0.77) ADORA2AADORA2BADORA3ADORA1SLC28A1
SCHEMBL7169928 0.87 ADORA1 (1.00) ADORA2AADORA2BADORA3ADORA1SLC28A1
SCHEMBL3950397 0.87 ADORA1 (1.00) ADORA2AADORA2BADORA3ADORA1SLC28A1
Tecadenoson SCHEMBL24838611 0.84 ADORA1 (1.00) ADORA2AADORA2BADORA3ADORA1SLC28A1

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 4/4885ADORA3 3/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885ADORA3 3/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885ADORA3 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.