SCHEMBL5028472

SCHEMBL5028472

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
MAP3K5 Q99683 1/20 0.43
MGMT P16455 5/20 0.42
CDK2 P24941 11/20 0.42
DPP4 P27487 1/20 0.42
CDK1 P06493 10/20 0.41
CCNB1 P14635 10/20 0.41
CCNA2 P20248 10/20 0.41
CCNA1 P78396 10/20 0.41
CYP1A2 P05177 1/20 0.39
PIN1 Q13526 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL320850 0.80 PDPK1 (0.66) PDPK1GDAMAP3K5MGMTCDK2
SCHEMBL6035413 0.76 ADK (0.34) PDPK1GDAMAP3K5MGMTADORA2A
SCHEMBL6035418 0.76 ADK (0.34) PDPK1GDAMAP3K5MGMTADORA2A
2,6-Diaminopurine SCHEMBL3237363 0.72 PDPK1 (0.56) PDPK1GDAMAP3K5MGMTCDK2
2,6-Diaminopurine SCHEMBL6241914 0.72 PDPK1 (0.59) PDPK1GDAMAP3K5MGMTCDK2
2,6-Diaminopurine SCHEMBL2934952 0.72 PDPK1 (0.59) PDPK1GDAMAP3K5MGMTCDK2
2,6-Diaminopurine SCHEMBL10774603 0.72 PDPK1 (0.59) PDPK1GDAMAP3K5MGMTCDK2
SCHEMBL4452455 0.72 MGMT (0.40) PDPK1GDAMAP3K5MGMTCDK2
Mercaptopurine Anhydrous SCHEMBL4456159 0.71 HTT (0.38) PDPK1MAP3K5CDK2CYP1A2
Mercaptopurine Anhydrous SCHEMBL905281 0.70 HTT (0.37) PDPK1MAP3K5CDK2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PDPK1 610/4885GDA 43/4885MAP3K5 839/4885

“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.