SCHEMBL4450304

SCHEMBL4450304

CSc1ncnc2nc[nH]c12.NC(O)[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
HSD17B10 Q99714 1/20 0.54
G6PD P11413 1/20 0.41
HIF1A Q16665 1/20 0.40
TSHR P16473 2/20 0.39
CDC7 O00311 5/20 0.38
DBF4 Q9UBU7 5/20 0.38
PAK1 Q13153 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAP3K5 Q99683 1/20 0.37
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL4457015 0.85 LMNA (0.36) TP53HSD17B10HIF1APAK1KDM4E
SCHEMBL4453628 0.85 MAP3K5 (0.58) TP53HSD17B10HIF1AMAP3K5
SCHEMBL4457972 0.84 MAP3K5 (0.43) TP53HSD17B10MAP3K5
SCHEMBL4460499 0.84 MAP3K5 (0.43) TP53HSD17B10MAP3K5
Mercaptopurine Anhydrous SCHEMBL4451627 0.83 LMNA (0.36) TP53HSD17B10G6PDHIF1APAK1
SCHEMBL4452455 0.75 MGMT (0.40) MAP3K5
SCHEMBL4459869 0.74 XDH (0.37)
SCHEMBL4456886 0.74
SCHEMBL30132912 0.74 HSD17B10 (1.00) TP53HSD17B10G6PDHIF1ATSHR
SCHEMBL240980 0.74 HSD17B10 (1.00) TP53HSD17B10G6PDHIF1ATSHR

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 TP53 3805/4885HSD17B10 4274/4885G6PD 92/4885

“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.