SCHEMBL6836084

SCHEMBL6836084

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.35
ADORA2B P29275 6/20 0.34
ADORA2A P29274 5/20 0.34
MGMT P16455 3/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
PNP P00491 2/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
ADORA3 P0DMS8 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL1733392 0.83 ADORA2B (0.36) HPRT1ADORA2BADORA2AMGMTCDK1
SCHEMBL216787 0.83 HPRT1 (0.44) HPRT1ADORA2BADORA2APNPPDE4A
SCHEMBL6836074 0.83 HPRT1 (0.39) HPRT1PNP
SCHEMBL9170817 0.76 HPRT1 (0.43) HPRT1ADORA2BADORA2AMGMTCDK1
SCHEMBL8921064 0.76 ADORA2B (0.35) HPRT1ADORA2BADORA2AMGMTCDK1
SCHEMBL8397617 0.75 HPRT1 (0.47) HPRT1ADORA2BADORA2ACDK1CCNB1
SCHEMBL16020626 0.74 HPRT1 (0.43) HPRT1ADORA2BADORA2AMGMTPNP
SCHEMBL669007 0.73 ADORA2B (0.61) ADORA2BADORA2AMGMTCDK1CCNB1
SCHEMBL28071828 0.73 PNP (0.45) ADORA2BADORA2AMGMTPNPPDE4A
SCHEMBL8918790 0.72 ADORA2B (0.37) ADORA2BADORA2AMGMTCDK1CCNB1

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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines AVENTIS PHARMACEUTICALS INC. 2004-04-08 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 (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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP HPRT1 8/4885ADORA2B 397/4885ADORA2A 81/4885

“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.