SCHEMBL4457015

SCHEMBL4457015

Cc1ncnc2nc[nH]c12.NC(O)[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
LRRK2 Q5S007 2/20 0.35
DRD3 P35462 1/20 0.35
XDH P47989 1/20 0.35
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 2/20 0.34
CHEK1 O14757 3/20 0.33
PDPK1 O15530 3/20 0.33
CDK2 P24941 2/20 0.33
AKT2 P31751 2/20 0.33
TP53 P04637 2/20 0.33
AURKA O14965 1/20 0.33
CHEK2 O96017 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
Mercaptopurine Anhydrous SCHEMBL4451627 0.86 LMNA (0.36) LMNAHTTPI4KAPI4K2BPI4K2A
SCHEMBL4450304 0.85 TP53 (0.54) LMNAHTTHIF1ATP53HSD17B10
SCHEMBL4452455 0.84 MGMT (0.40) CYP1A2PDPK1CDK2HRH4
SCHEMBL4456886 0.83
SCHEMBL4459869 0.83 XDH (0.37) XDH
SCHEMBL98133 0.79 HSD17B10 (0.38) LMNAHTTPI4KAPI4K2BPI4K2A
Thioguanine SCHEMBL4453632 0.75 PDPK1 (0.39) CYP1A2PDPK1CDK2HRH4
SCHEMBL4453628 0.75 MAP3K5 (0.58) CYP1A2HIF1APDPK1CDK2TP53
SCHEMBL4453574 0.74
SCHEMBL4456222 0.74 XDH (0.34) XDH

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 LMNA 3355/4885HTT 4302/4885PI4KA 1688/4885

“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.