SCHEMBL2249888

SCHEMBL2249888

CCC(OCn1c(N)nc2nc[nH]c2c1=O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.39
ADORA2B P29275 8/20 0.39
PDE4A P27815 11/20 0.38
PDE4B Q07343 11/20 0.38
PDE4C Q08493 11/20 0.38
PDE4D Q08499 11/20 0.38
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
HPRT1 P00492 1/20 0.37
MGMT P16455 1/20 0.36

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
SCHEMBL2113440 0.82 ADORA2A (0.41) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL15013384 0.79 MEN1 (0.40) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL15545146 0.78 HPRT1 (0.42) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL9170817 0.78 HPRT1 (0.43) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL1767750 0.78 ADORA2A (0.47) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL2343362 0.77 ADORA2A (0.44) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL8397617 0.77 HPRT1 (0.47) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL10421281 0.77 CDK1 (0.49) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL3512359 0.76 PDE4A (0.37) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL20497218 0.76 CDK1 (0.36) ADORA2AADORA2BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012799-B1 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX INC (US) 2016-08-24 EP disclosed
US-7994143-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2011-08-09 US disclosed
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2010-09-30 US disclosed
US-7749983-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2010-07-06 US disclosed
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2008-01-10 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 (2 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-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 ADORA2A 565/4885ADORA2B 1816/4885PDE4A 831/4885
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 ADORA2A 565/4885ADORA2B 1816/4885PDE4A 831/4885

“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.