SCHEMBL6004041

SCHEMBL6004041

C=C(COC(C(C)C)(C(C)C)P(=O)(O)O)C(CO)n1cnc2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA1 P30542 2/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CYP3A4 P08684 2/20 0.42
ENPP1 P22413 2/20 0.40
ENPP3 O14638 1/20 0.40
ADA P00813 3/20 0.39
PDE2A O00408 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3852153 0.82 AHCY (0.48) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL3852157 0.81 AHCY (0.46) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL13714845 0.81 FGFR1 (0.54) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL3852148 0.81 FGFR1 (0.54) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL13714886 0.80 AHCY (0.44) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL13714833 0.76 ENPP1 (0.49) AHCYCYP3A4ENPP1ENPP3
SCHEMBL6004517 0.72 FBP1 (0.30)
SCHEMBL6005011 0.71 NT5E (0.34)
SCHEMBL3852186 0.70 SLC22A6 (0.46) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL727573 0.70 GSK3B (0.48) AHCYADORA2AADORA2BADORA1PI4KA

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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 AHCY 704/4885ADORA2A 214/4885ADORA2B 464/4885

“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.