SCHEMBL23992930

SCHEMBL23992930

COc1ncc(-c2cc([C@H]3C[C@@H]3c3cccc4ccncc34)c3nccn3n2)c(OC)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.33
▸ SYK P43405 5/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ MDM2 Q00987 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ HTR2C P28335 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL30224245 1.00 MTOR (0.33) MTORSYKPPARDACP1MDM2
SCHEMBL25005301 0.93 MTOR (0.33) MTORSYKPPARDACP1MDM2
SCHEMBL30224517 0.93 MTOR (0.33) MTORSYKPPARDACP1MDM2
SCHEMBL30224464 0.92 SYK (0.36) MTORSYKPPARDACP1MDM2
SCHEMBL23994016 0.92 SYK (0.36) MTORSYKPPARDACP1MDM2
SCHEMBL23994033 0.86 MTOR (0.35) MTORSYKPPARDACP1MDM2
SCHEMBL30224304 0.86 ACP1 (0.36) MTORSYKPPARDACP1MDM2
SCHEMBL23993568 0.85 SYK (0.34) MTORSYKPPARDACP1MDM2
SCHEMBL23993616 0.85 SYK (0.34) MTORSYKPPARDACP1MDM2
SCHEMBL30224370 0.85 SYK (0.34) MTORSYKPPARDACP1MDM2

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
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — 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 MTOR 1667/4885SYK 2578/4885PPARD 2945/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E MTOR 1715/4885SYK 2691/4885PPARD 2978/4885

“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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