SCHEMBL23993138

SCHEMBL23993138

COc1ncc(-c2cc(C3CCC(F)(F)CC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ PPARD Q03181 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ MDM2 Q00987 4/20 0.32
▸ RAF1 P04049 3/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL23991557 0.92 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224465 0.92 MTOR (0.38) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994473 0.87 MTOR (0.39) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224618 0.83 PDE10A (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224597 0.83 MTOR (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL23993200 0.83 PDE10A (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL23993201 0.83 MTOR (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL30224920 0.82 RAF1 (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL23993202 0.82 RAF1 (0.36) MTORPIK3CDABL1EGFRHCK
SCHEMBL23994040 0.82 MTOR (0.32) MTORPIK3CDABL1EGFRHCK

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
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 (1 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 1667/4885PIK3CD 401/4885ABL1 1116/4885

“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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