SCHEMBL4452559

SCHEMBL4452559

C[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.77
HSP90B1 P14625 1/20 0.62
HINT1 P49773 1/20 0.57
NT5E P21589 2/20 0.56
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
ADORA2A P29274 5/20 0.54
ADORA2B P29275 3/20 0.54
ADORA1 P30542 2/20 0.54

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
SCHEMBL19843948 1.00 ADORA3 (0.77) ADORA3HSP90B1HINT1NT5ECYP2C19
SCHEMBL4452551 1.00 ADORA3 (0.77) ADORA3HSP90B1HINT1NT5ECYP2C19
Phosphoric Acid SCHEMBL13857855 0.94 ADORA3 (0.69) ADORA3HSP90B1HINT1NT5ECYP2C19
SCHEMBL13769821 0.88 ADORA3 (0.76) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL6671762 0.88 ADORA3 (0.65) ADORA3HSP90B1HINT1CYP2C19ADORA2B
SCHEMBL23884966 0.87 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL10061853 0.87 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL13296249 0.87 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL2406009 0.87 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL19843949 0.87 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A

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
EP-1844063-A4 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2009-06-17 EP disclosed
US-20080070860-A1 Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside UTI LIMITED PARTNERSHIP (CA) 2008-03-20 US disclosed
EP-1844063-A1 PURINE NUCLEOSIDE ANALOGS Uti Limited Partnership (CA) 2007-10-17 EP disclosed
WO-2006081665-A1 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2006-08-10 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-20080070860-A1 Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside PNP, MTAP, TYMP ADORA3 30/4885HSP90B1 3514/4885HINT1 168/4885

“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.