SCHEMBL23994440

SCHEMBL23994440

COc1ncc(-c2cc(N3CCCCC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.39
▸ SYK P43405 3/20 0.36
▸ SMPD3 Q9NY59 1/20 0.36
▸ RAF1 P04049 13/20 0.35
▸ BRAF P15056 13/20 0.35
▸ MTOR P42345 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 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

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
SCHEMBL23992929 0.99 PLAU (0.38) PLAUSYKSMPD3RAF1BRAF
SCHEMBL30224149 0.99 PLAU (0.38) PLAUSYKSMPD3RAF1BRAF
SCHEMBL23993126 0.90 RAF1 (0.44) RAF1BRAFMTOR
SCHEMBL23994801 0.89 SYK (0.37) SYKRAF1BRAFMTORPIK3CD
SCHEMBL30224920 0.89 RAF1 (0.36) SYKSMPD3RAF1BRAFMTOR
SCHEMBL23993202 0.89 RAF1 (0.36) SYKSMPD3RAF1BRAFMTOR
SCHEMBL23992886 0.87 RAF1 (0.33) PLAUSYKSMPD3RAF1BRAF
SCHEMBL23994039 0.86 SYK (0.34) SYKRAF1BRAFMTORPIK3CD
SCHEMBL23993461 0.86 SYK (0.34) SYKRAF1BRAFMTORPIK3CD
SCHEMBL30224144 0.86 SYK (0.34) SYKRAF1BRAFMTORPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLAU 2470/4885SYK 2578/4885SMPD3 269/4885

“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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