SCHEMBL23994556

SCHEMBL23994556

N#Cc1ccc(C[C@@H]2C[C@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.38
▸ GRIA1 P42261 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ SLC6A4 P31645 6/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ TNIK Q9UKE5 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
SCHEMBL23993715 1.00 NT5E (0.38) NT5EGRIA1JAK2TYK2DAO
SCHEMBL23993916 0.90 NT5E (0.39) NT5EGRIA1JAK2TYK2
SCHEMBL30224587 0.90 NT5E (0.39) NT5EGRIA1JAK2TYK2
SCHEMBL23993732 0.90 NT5E (0.39) NT5EGRIA1JAK2TYK2
SCHEMBL25005476 0.87 NT5E (0.41) NT5EGRIA1JAK2TYK2
SCHEMBL23995102 0.87 NT5E (0.41) NT5EGRIA1JAK2TYK2
SCHEMBL25005409 0.87 NT5E (0.41) NT5EGRIA1JAK2TYK2
SCHEMBL23993775 0.87 NT5E (0.41) NT5EGRIA1JAK2TYK2
SCHEMBL25004541 0.83 NT5E (0.40) NT5EJAK2TYK2
SCHEMBL30224735 0.83 NT5E (0.40) NT5EJAK2TYK2

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-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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 (2 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E NT5E 3/4885GRIA1 3025/4885JAK2 1484/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885GRIA1 2851/4885JAK2 1668/4885

“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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