SCHEMBL23993461

SCHEMBL23993461

COc1ncc(-c2cc(N3CC(C)(C)C3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.34
▸ MTOR P42345 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ RAF1 P04049 13/20 0.33
▸ BRAF P15056 13/20 0.33
▸ QPCT Q16769 1/20 0.32
▸ QPCTL Q9NXS2 1/20 0.32
▸ MDM2 Q00987 1/20 0.32

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
SCHEMBL23994797 0.93 SYK (0.42) SYKMTORRAF1BRAF
SCHEMBL30224144 0.92 SYK (0.34) SYKMTORPIK3CDABL1EGFR
SCHEMBL23994039 0.92 SYK (0.34) SYKMTORPIK3CDABL1EGFR
SCHEMBL23994008 0.90 SYK (0.32) SYKMTORPIK3CDABL1EGFR
SCHEMBL30224356 0.90 SYK (0.32) SYKMTORPIK3CDABL1EGFR
SCHEMBL23994801 0.90 SYK (0.37) SYKMTORPIK3CDABL1EGFR
SCHEMBL30224412 0.89 RAF1 (0.34) SYKMTORPIK3CDABL1EGFR
SCHEMBL23994122 0.89 RAF1 (0.34) SYKMTORPIK3CDABL1EGFR
SCHEMBL23994441 0.89 HSD11B1 (0.37) SYKMTORPIK3CDABL1EGFR
SCHEMBL23993228 0.88 SYK (0.32) SYKMTORPIK3CDABL1EGFR

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 SYK 2578/4885MTOR 1667/4885PIK3CD 401/4885

“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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