SCHEMBL22569997

SCHEMBL22569997

O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](c2cnc3c(NCc4ccccc4Cl)nc(Cl)nn23)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 20/20 0.62

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
SCHEMBL29737024 1.00 NT5E (0.62) NT5E
SCHEMBL22569921 0.91 NT5E (0.65) NT5E
SCHEMBL22569930 0.86 NT5E (0.53) NT5E
SCHEMBL24941135 0.86 NT5E (0.52) NT5E
SCHEMBL24941141 0.86 NT5E (0.52) NT5E
SCHEMBL23042891 0.85 NT5E (0.56) NT5E
SCHEMBL23052594 0.85 NT5E (0.56) NT5E
SCHEMBL22579720 0.84 NT5E (0.48) NT5E
SCHEMBL22579644 0.84 NT5E (0.48) NT5E
SCHEMBL22569905 0.83 NT5E (0.61) NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO 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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 NT5E 8/4885

“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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