SCHEMBL22843649

SCHEMBL22843649

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(N)nc(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 12/20 0.35
▸ ENPP1 P22413 2/20 0.35
▸ AHCY P23526 1/20 0.32
▸ PLCG1 P19174 1/20 0.30

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
SCHEMBL22843546 0.75 NT5E (0.47) NT5E
SCHEMBL22843523 0.73 ENPP1 (0.48) NT5EENPP1PLCG1
SCHEMBL22843633 0.72 NT5E (0.40) NT5E
SCHEMBL24078966 0.70 NT5E (0.50) NT5EENPP1AHCYPLCG1
SCHEMBL22843518 0.69 NT5E (0.45) NT5E
SCHEMBL22843677 0.69 NT5E (0.54) NT5E
SCHEMBL22843632 0.69 NT5E (0.54) NT5E
SCHEMBL22843662 0.69 ADORA3 (0.41) NT5E
SCHEMBL22843535 0.69 PDE1A (0.35) NT5EENPP1
SCHEMBL19370193 0.62 ENPP1 (0.49) NT5EENPP1PLCG1

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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 NT5E 10/4885ENPP1 6/4885AHCY 379/4885

“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.

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