SCHEMBL1733392

SCHEMBL1733392

Nc1nc2nc[nH]c2c(=O)n1CC=CCCP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.36
ADORA2A P29274 5/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
PNP P00491 2/20 0.35
MGMT P16455 3/20 0.34
HPRT1 P00492 2/20 0.34
ENPP1 P22413 1/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
DPP4 P27487 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL6836084 0.83 HPRT1 (0.35) ADORA2BADORA2ACDK1CCNB1CCNA2
SCHEMBL8397617 0.77 HPRT1 (0.47) ADORA2BADORA2ACDK1CCNB1CCNA2
SCHEMBL8918790 0.76 ADORA2B (0.37) ADORA2BADORA2ACDK1CCNB1CCNA2
SCHEMBL669007 0.76 ADORA2B (0.61) ADORA2BADORA2ACDK1CCNB1CCNA2
SCHEMBL28071828 0.76 PNP (0.45) ADORA2BADORA2APNPMGMTPDE4A
SCHEMBL216787 0.74 HPRT1 (0.44) ADORA2BADORA2APNPHPRT1PDE4A
SCHEMBL1733413 0.74 PDPK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL27842808 0.73 PDE4A (0.53) ADORA2BADORA2APNPPDE4APDE4B
SCHEMBL1047660 0.73 PNP (0.45) ADORA2BADORA2ACDK2PNPPDE4A
SCHEMBL874737 0.73 ADORA2A (0.56) ADORA2BADORA2APNPPDE4APDE4B

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 ADORA2B 1260/4885ADORA2A 734/4885CDK1 361/4885
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 ADORA2B 1786/4885ADORA2A 510/4885CDK1 252/4885
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 ADORA2B 1947/4885ADORA2A 726/4885CDK1 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.