SCHEMBL23994547

SCHEMBL23994547

O=c1[nH]cc(-c2cc(OCc3ccccc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ NT5E P21589 2/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL23994443 0.90 FAAH (0.38) DPYDALDH1A1NT5EKMT2ACCNE1
SCHEMBL23993707 0.86 DPYD (0.41) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23995100 0.84 NT5E (0.38) ALDH1A1NT5ECCNE1CDK2
SCHEMBL23993094 0.83 NT5E (0.42) ALDH1A1NT5EKMT2ALMNACCNE1
SCHEMBL23993079 0.83 NT5E (0.42) ALDH1A1NT5EKMT2ALMNACCNE1
SCHEMBL23993650 0.83 DPYD (0.42) DPYDALDH1A1NT5ECCNE1CDK2
SCHEMBL23993096 0.83 HCRTR2 (0.35) ALDH1A1NT5E
SCHEMBL23995402 0.83 NT5E (0.35) ALDH1A1NT5ELMNACCNE1CDK2
SCHEMBL23995328 0.82 NT5E (0.39) ALDH1A1NT5ELMNAXDH
SCHEMBL30224633 0.82 NT5E (0.40) ALDH1A1NT5ECCNE1CDK2

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

“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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