SCHEMBL4803658

SCHEMBL4803658

NNc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.75
ADORA3 P0DMS8 2/20 0.75
ADORA1 P30542 2/20 0.75
ADORA2B P29275 1/20 0.75
MEN1 O00255 1/20 0.75
CYP1A2 P05177 1/20 0.75
MAPK1 P28482 1/20 0.75
KMT2A Q03164 1/20 0.75
RXFP1 Q9HBX9 1/20 0.73
PMP22 Q01453 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
TSHR P16473 1/20 0.71
CYP2C19 P33261 1/20 0.71
THPO P40225 1/20 0.71

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
SCHEMBL3952630 0.99 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL5033794 0.99 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL5397531 0.95 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL3946675 0.95 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL4804505 0.89 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL3946544 0.88 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL4799496 0.87 ADORA3 (0.79) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL5035090 0.87 ADORA3 (0.79) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL14163183 0.87 ADORA3 (0.79) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL1120664 0.87 ADORA2A (0.75) ADORA2AADORA3ADORA1ADORA2BMEN1

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 ADORA2A 2/4885ADORA3 3/4885ADORA1 1/4885

“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.