SCHEMBL4452455

SCHEMBL4452455

Cc1nc(N)nc2nc[nH]c12.NC(O)[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGMT P16455 3/20 0.40
PDPK1 O15530 1/20 0.39
GDA Q9Y2T3 1/20 0.39
CDK2 P24941 12/20 0.38
CDK1 P06493 11/20 0.38
CCNB1 P14635 11/20 0.38
CCNA2 P20248 11/20 0.38
CCNA1 P78396 11/20 0.38
MAP3K5 Q99683 1/20 0.38
CYP1A2 P05177 1/20 0.38
DPP4 P27487 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIN1 Q13526 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
SCHEMBL4456886 0.88
SCHEMBL4459869 0.88 XDH (0.37) DPP4
Thioguanine SCHEMBL4453632 0.87 PDPK1 (0.39) MGMTPDPK1GDACDK2CDK1
SCHEMBL4453628 0.86 MAP3K5 (0.58) MGMTPDPK1GDACDK2CDK1
SCHEMBL4457015 0.84 LMNA (0.36) PDPK1CDK2CYP1A2HRH4
SCHEMBL4453574 0.77
SCHEMBL4456222 0.77 XDH (0.34) DPP4
SCHEMBL4457972 0.77 MAP3K5 (0.43) MAP3K5CYP1A2
SCHEMBL4460499 0.77 MAP3K5 (0.43) MAP3K5CYP1A2
Mercaptopurine Anhydrous SCHEMBL4451627 0.75 LMNA (0.36) PDPK1CYP1A2

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 MGMT 2311/4885PDPK1 610/4885GDA 43/4885

“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.