SCHEMBL4806847

SCHEMBL4806847

Nc1nc(NCc2ccc(Cl)cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.71
PGK2 P07205 1/20 0.71
ADORA3 P0DMS8 3/20 0.68
ADORA1 P30542 2/20 0.68
SLC29A1 Q99808 2/20 0.67
ADORA2A P29274 1/20 0.62
ADORA2B P29275 1/20 0.62
TP53 P04637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL5381003 0.91 ADORA3 (0.75) ADORA3ADORA1SLC29A1ADORA2AADORA2B
SCHEMBL4804402 0.91 ADORA3 (0.74) PGK1PGK2ADORA3ADORA1SLC29A1
SCHEMBL3955616 0.91 ADORA3 (0.75) ADORA3ADORA1SLC29A1ADORA2AADORA2B
SCHEMBL13286508 0.91 ADORA3 (0.74) PGK1PGK2ADORA3ADORA1SLC29A1
SCHEMBL5383886 0.89 ADORA2A (0.65) PGK1PGK2ADORA3ADORA1SLC29A1
SCHEMBL3947852 0.89 ADORA2A (0.65) PGK1PGK2ADORA3ADORA1SLC29A1
SCHEMBL10682966 0.87 PGK1 (0.69) PGK1PGK2ADORA3ADORA1ADORA2A
SCHEMBL10682972 0.87 PGK1 (0.69) PGK1PGK2ADORA3ADORA1ADORA2A
SCHEMBL20626338 0.86 SLC29A1 (0.82) ADORA3ADORA1SLC29A1ADORA2ATP53
SCHEMBL20626337 0.86 SLC29A1 (0.82) ADORA3ADORA1SLC29A1ADORA2ATP53

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.