SCHEMBL23994801

SCHEMBL23994801

COc1ncc(-c2cc(N3CCC(C)(C)CC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.37
▸ HSD11B1 P28845 1/20 0.34
▸ RAF1 P04049 13/20 0.34
▸ BRAF P15056 13/20 0.34
▸ MTOR P42345 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ PI4KB Q9UBF8 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 0.95 SYK (0.42) SYKHSD11B1RAF1BRAFMTOR
SCHEMBL23993202 0.92 RAF1 (0.36) SYKHSD11B1RAF1BRAFMTOR
SCHEMBL30224920 0.92 RAF1 (0.36) SYKHSD11B1RAF1BRAFMTOR
SCHEMBL23993461 0.90 SYK (0.34) SYKRAF1BRAFMTORPIK3CD
SCHEMBL30224149 0.90 PLAU (0.38) SYKRAF1BRAFMTORPIK3CD
SCHEMBL23992929 0.90 PLAU (0.38) SYKRAF1BRAFMTORPIK3CD
SCHEMBL23994440 0.89 PLAU (0.39) SYKRAF1BRAFMTORPIK3CD
SCHEMBL23994803 0.88 SMPD3 (0.37) SYKHSD11B1RAF1BRAFMTOR
SCHEMBL30224460 0.88 SMPD3 (0.37) SYKHSD11B1RAF1BRAFMTOR
SCHEMBL25005985 0.88 RAF1 (0.33) SYKHSD11B1RAF1BRAFMTOR

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 2578/4885HSD11B1 4354/4885RAF1 2499/4885

“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.

Send feedback