SCHEMBL24940140

SCHEMBL24940140

O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@H](c2csc3c(NC4CCCC4)nc(Cl)nc23)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 18/20 0.60
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46

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
SCHEMBL24941089 1.00 NT5E (0.60) NT5EADORA3ADORA2AADORA1
SCHEMBL21882976 0.88 NT5E (0.59) NT5E
SCHEMBL21839500 0.88 NT5E (0.59) NT5E
SCHEMBL24940218 0.86 NT5E (0.49) NT5E
SCHEMBL23907542 0.85 NT5E (0.44) NT5EADORA3ADORA2AADORA1
SCHEMBL29893560 0.82 ADORA2A (0.52) ADORA3ADORA2AADORA1
SCHEMBL24941203 0.82 ADORA2A (0.52) ADORA3ADORA2AADORA1
SCHEMBL24941247 0.82 NT5E (0.55) NT5E
SCHEMBL24940138 0.81 NT5E (0.46) NT5E
SCHEMBL24940971 0.80 NT5E (0.50) NT5EADORA3ADORA2AADORA1

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-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 — — 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-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E NT5E 3/4885ADORA3 44/4885ADORA2A 18/4885

“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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