SCHEMBL23993545

SCHEMBL23993545

COc1ncc(-c2cc(N3CC[C@@H](C(C)C)C3)c3nccn3n2)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 11/20 0.35
▸ BRAF P15056 11/20 0.35
▸ MTOR P42345 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ SYK P43405 3/20 0.33
▸ PPARD Q03181 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
SCHEMBL30224218 1.00 RAF1 (0.35) RAF1BRAFMTORABL1PIK3CD
SCHEMBL23993991 0.89 SMPD3 (0.36) RAF1BRAFMTORABL1PIK3CD
SCHEMBL23994402 0.88 MTOR (0.34) RAF1BRAFMTORABL1SYK
SCHEMBL23995170 0.88 RAF1 (0.36) RAF1BRAFMTORABL1PIK3CD
SCHEMBL30224514 0.88 RAF1 (0.36) RAF1BRAFMTORABL1PIK3CD
SCHEMBL23994180 0.87 RAF1 (0.34) RAF1BRAFMTORABL1PIK3CD
SCHEMBL30224499 0.86 PDE1B (0.34) RAF1BRAFMTORABL1PIK3CD
SCHEMBL30224740 0.86 PDE1B (0.34) RAF1BRAFMTORABL1PIK3CD
SCHEMBL23992928 0.85 SYK (0.37) RAF1BRAFMTORABL1SYK
SCHEMBL30224751 0.85 SYK (0.37) RAF1BRAFMTORABL1SYK

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN 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 RAF1 2499/4885BRAF 1019/4885MTOR 1667/4885

“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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