SCHEMBL23993650

SCHEMBL23993650

O=c1[nH]cc(-c2cc(Cc3ccccc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ NT5E P21589 2/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MET P08581 1/20 0.36

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
SCHEMBL23993707 0.88 DPYD (0.41) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23994945 0.84 ALDH1A1 (0.38) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23994624 0.83 ALDH1A1 (0.37) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23994547 0.83 DPYD (0.43) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23993490 0.83 KDM4E (0.40) ALDH1A1NT5ECCNE1CDK2MET
SCHEMBL23994251 0.81 IP6K1 (0.39) ALDH1A1NT5ECCNE1CDK2
SCHEMBL23994443 0.81 FAAH (0.38) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23994321 0.81 MEN1 (0.54) ALDH1A1NT5ECDK2
SCHEMBL23995083 0.79 KDM4E (0.47) ALDH1A1
SCHEMBL30224587 0.79 NT5E (0.39) DPYDALDH1A1NT5ECCNE1CDK2

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 3 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
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 DPYD 23/4885ALDH1A1 347/4885GABRA1 3825/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E DPYD 17/4885ALDH1A1 138/4885GABRA1 3849/4885

“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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