SCHEMBL4453628

SCHEMBL4453628

CSc1nc(N)nc2nc[nH]c12.NC(O)[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.58
CYP1A2 P05177 4/20 0.43
POLB P06746 1/20 0.38
PIN1 Q13526 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
NUDT1 P36639 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TOP2A P11388 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
PDPK1 O15530 1/20 0.36
GDA Q9Y2T3 1/20 0.36
CDK2 P24941 7/20 0.36
CDK1 P06493 6/20 0.36
CCNB1 P14635 6/20 0.36
CCNA2 P20248 6/20 0.36

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
SCHEMBL4460499 0.89 MAP3K5 (0.43) MAP3K5CYP1A2HSD17B10TP53
SCHEMBL4457972 0.89 MAP3K5 (0.43) MAP3K5CYP1A2HSD17B10TP53
SCHEMBL4452455 0.86 MGMT (0.40) MAP3K5CYP1A2PIN1PDPK1GDA
SCHEMBL4450304 0.85 TP53 (0.54) MAP3K5HSD17B10HIF1ATP53
Thioguanine SCHEMBL4453632 0.84 PDPK1 (0.39) MAP3K5CYP1A2PIN1PDPK1GDA
SCHEMBL4459869 0.77 XDH (0.37) SMN1; SMN2DPP4
SCHEMBL4456886 0.77
SCHEMBL94363 0.76 MAP3K5 (1.00) MAP3K5CYP1A2POLBPIN1CYP3A4
SCHEMBL4457015 0.75 LMNA (0.36) CYP1A2HSD17B10HIF1APDPK1CDK2
SCHEMBL4456222 0.74 XDH (0.34) SMN1; SMN2DPP4

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 MAP3K5 839/4885CYP1A2 1778/4885POLB 324/4885

“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.