SCHEMBL4457021

SCHEMBL4457021

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.77
NT5E P21589 2/20 0.76
LMNA P02545 1/20 0.76
HIF1A Q16665 1/20 0.76
CA5A P35218 1/20 0.74
ADORA2A P29274 4/20 0.62
ADORA2B P29275 3/20 0.62
ADORA1 P30542 2/20 0.60
DNMT1 P26358 1/20 0.59
DNMT3B Q9UBC3 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
HINT1 P49773 1/20 0.57

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
SCHEMBL4457018 1.00 ADORA3 (0.77) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL16366029 1.00 ADORA3 (0.77) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL13524754 1.00 ADORA3 (0.77) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL1938203 0.89 ADORA3 (0.80) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL4454099 0.89 ADORA3 (0.80) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL12443734 0.89 ADORA3 (0.80) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL8622533 0.88 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL29936666 0.88 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL19843952 0.88 NT5E (0.81) ADORA3NT5ELMNAHIF1ACA5A
SCHEMBL17752649 0.88 NT5E (0.81) ADORA3NT5ELMNAHIF1ACA5A

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 8 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 claimed
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 claimed
EP-1844063-A1 PURINE NUCLEOSIDE ANALOGS Uti Limited Partnership (CA) 2007-10-17 EP claimed
WO-2006081665-A1 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2006-08-10 WO claimed
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 30/4885NT5E 21/4885LMNA 3355/4885

“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.