SCHEMBL1733413

SCHEMBL1733413

Nc1nc(CC=CCCP(=O)(O)O)nc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
GDA Q9Y2T3 1/20 0.42
CDK1 P06493 6/20 0.37
CCNB1 P14635 6/20 0.37
CCNA2 P20248 6/20 0.37
CDK2 P24941 6/20 0.37
CCNA1 P78396 6/20 0.37
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
MGMT P16455 6/20 0.36
DPP4 P27487 1/20 0.35
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
LMNA P02545 1/20 0.34
DRD3 P35462 1/20 0.34
XDH P47989 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PNP P00491 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
SCHEMBL30416185 0.82 PDPK1 (0.49) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL669641 0.77 PDPK1 (0.53) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL1733392 0.74 ADORA2B (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29559859 0.73 PDPK1 (0.54) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL325149 0.73 PDPK1 (0.54) PDPK1GDACDK1CCNB1CCNA2
Phosphoric Acid SCHEMBL27565804 0.72 PDE4A (0.56) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL490904 0.72 PDPK1 (0.50) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL29708075 0.72 PDPK1 (0.43) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL3837871 0.72 PDPK1 (0.43) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL9176120 0.71 PDPK1 (0.59) PDPK1GDACDK1CCNB1CCNA2

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
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US claimed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 EP claimed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 US claimed
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 US disclosed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 EP disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US 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 (3 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 PDPK1 634/4885GDA 332/4885CDK1 361/4885
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 PDPK1 270/4885GDA 232/4885CDK1 252/4885
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 PDPK1 311/4885GDA 223/4885CDK1 317/4885

“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.