SCHEMBL4457972

SCHEMBL4457972

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.43
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.31
POLA1 P09884 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL4453628 0.89 MAP3K5 (0.58) MAP3K5TP53HSD17B10CYP1A2
SCHEMBL4460499 0.88 MAP3K5 (0.43) MAP3K5TP53HSD17B10CYP1A2POLA1
SCHEMBL4456886 0.86
SCHEMBL4450304 0.84 TP53 (0.54) MAP3K5TP53HSD17B10
SCHEMBL4453574 0.84
SCHEMBL4452455 0.77 MGMT (0.40) MAP3K5CYP1A2
SCHEMBL4459869 0.76 XDH (0.37)
Thioguanine SCHEMBL4453632 0.74 PDPK1 (0.39) MAP3K5CYP1A2
SCHEMBL4457015 0.74 LMNA (0.36) TP53HSD17B10CYP1A2HSP90AB1
SCHEMBL4456222 0.74 XDH (0.34)

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 839/4885TP53 3805/4885HSD17B10 4274/4885

“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.