SCHEMBL4452532

SCHEMBL4452532

Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](C(N)O)O1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.68
PDE3A Q14432 2/20 0.68
PNP P00491 1/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
NT5E P21589 1/20 0.55
ADORA3 P0DMS8 7/20 0.53
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
PDE2A O00408 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL17364309 0.90 PDE4D (0.67) PDE4DPDE3APNPLMNATP53
SCHEMBL24220709 0.89 PDE4D (0.68) PDE4DPDE3APNPLMNATP53
SCHEMBL23474144 0.89 PDE4D (0.68) PDE4DPDE3APNPLMNATP53
SCHEMBL24950975 0.89 PDE4D (0.68) PDE4DPDE3APNPLMNATP53
SCHEMBL4463206 0.89 PNP (0.53) PDE4DPDE3APNPLMNATP53
SCHEMBL4456217 0.87 AHCY (0.61) PDE4DPDE3APNPLMNATP53
SCHEMBL24765436 0.84 PDE4D (0.73) PDE4DPDE3APNPLMNATP53
SCHEMBL21089006 0.84 PDE4D (0.73) PDE4DPDE3APNPLMNATP53
SCHEMBL21088897 0.84 PDE4D (0.73) PDE4DPDE3APNPLMNATP53
SCHEMBL10015808 0.84 PDE4D (0.73) PDE4DPDE3APNPLMNATP53

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 PDE4D 342/4885PDE3A 529/4885PNP 1/4885

“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.