SCHEMBL4451394

SCHEMBL4451394

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 1.00
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
CA9 Q16790 1/20 0.62
ADORA2A P29274 5/20 0.60
ADORA1 P30542 4/20 0.60
PDE2A O00408 1/20 0.60
ADRA1A P35348 1/20 0.60
PDE4D Q08499 1/20 0.60
PDE3A Q14432 1/20 0.60
ADORA2B P29275 2/20 0.60
NT5E P21589 1/20 0.57
P2RY1 P47900 4/20 0.55
DNMT1 P26358 2/20 0.55
P2RY11 Q96G91 2/20 0.55
DNMT3B Q9UBC3 1/20 0.55
LMNA P02545 1/20 0.54
TP53 P04637 1/20 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
SCHEMBL3877328 1.00 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL19843960 1.00 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL12746256 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL21089007 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL21089137 0.89 ADORA3 (0.80) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL4452551 0.87 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL19843948 0.87 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL4452559 0.87 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL4456205 0.87 ADORA3 (0.76) ADORA3CA1CA2CA4CA9
SCHEMBL14264202 0.86 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2BLMNA

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 30/4885CA1 3582/4885CA2 1351/4885

“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.