SCHEMBL22843531

SCHEMBL22843531

CC/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H](F)[C@@H](O)n1ncc2c(N[C@@H](C)c3ccccc3)cc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 17/20 0.48
▸ KCNN3 Q9UGI6 1/20 0.34
▸ PDE1C Q14123 1/20 0.33
▸ PDE9A O76083 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
SCHEMBL22843527 1.00 NT5E (0.48) NT5EKCNN3PDE1CPDE9A
SCHEMBL22843563 0.88 NT5E (0.56) NT5E
SCHEMBL22843589 0.88 NT5E (0.56) NT5E
SCHEMBL22843594 0.86 NT5E (0.49) NT5EKCNN3PDE1CPDE9A
SCHEMBL22843558 0.86 NT5E (0.49) NT5EKCNN3PDE1CPDE9A
SCHEMBL22843574 0.84 NT5E (0.42) NT5E
SCHEMBL22843665 0.82 NT5E (0.58) NT5E
SCHEMBL22843599 0.82 NT5E (0.56) NT5E
SCHEMBL22843592 0.82 NT5E (0.56) NT5E
SCHEMBL22843457 0.81 NT5E (0.59) NT5EPDE1CPDE9A

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 10/4885KCNN3 2913/4885PDE1C 1184/4885

“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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