SCHEMBL4454099

SCHEMBL4454099

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

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.80
HINT1 P49773 2/20 0.70
NT5E P21589 2/20 0.70
ADORA2A P29274 3/20 0.65
ADORA2B P29275 2/20 0.65
ADORA1 P30542 1/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA9 Q16790 1/20 0.60
CYP2C19 P33261 1/20 0.60
CA5A P35218 1/20 0.59
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL12443734 1.00 ADORA3 (0.80) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL1938203 1.00 ADORA3 (0.80) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL12667514 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA1
SCHEMBL15958586 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL27418170 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL24264307 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL12223711 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA1
SCHEMBL8619145 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL15336916 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA2B
SCHEMBL12674666 0.90 ADORA3 (0.66) ADORA3HINT1NT5EADORA2AADORA1

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 30/4885HINT1 168/4885NT5E 21/4885

“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.