SCHEMBL23994443

SCHEMBL23994443

O=c1[nH]cc(-c2cc(OCCc3ccccc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NT5E P21589 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ DPYD Q12882 1/20 0.35
▸ DAO P14920 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ CYP19A1 P11511 2/20 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
SCHEMBL23994547 0.90 DPYD (0.43) FAAHCES1ALDH1A1NT5EKMT2A
SCHEMBL23994416 0.83 HCRTR2 (0.37) ALDH1A1NT5E
SCHEMBL23995100 0.82 NT5E (0.38) ALDH1A1NT5EDAOCCNE1CDK2
SCHEMBL23993079 0.82 NT5E (0.42) ALDH1A1NT5EMEN1KMT2ACCNE1
SCHEMBL23993094 0.82 NT5E (0.42) ALDH1A1NT5EMEN1KMT2ACCNE1
SCHEMBL23993650 0.81 DPYD (0.42) ALDH1A1NT5EDPYDCCNE1CDK2
SCHEMBL23995402 0.81 NT5E (0.35) ALDH1A1NT5ECCNE1CDK2
SCHEMBL23993096 0.81 HCRTR2 (0.35) ALDH1A1NT5E
SCHEMBL23994321 0.81 MEN1 (0.54) FAAHCES1ALDH1A1NT5EKDM4E
SCHEMBL23995328 0.81 NT5E (0.39) ALDH1A1NT5E

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 FAAH 4134/4885CES1 1029/4885ALDH1A1 347/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E FAAH 3983/4885CES1 605/4885ALDH1A1 138/4885

“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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