SCHEMBL23994264

SCHEMBL23994264

CC(C)(C)Oc1ncc(-c2cc(OCC(F)(F)CO)c3nccn3n2)c(OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HCRTR2 O43614 1/20 0.34
▸ GAA P10253 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
SCHEMBL30181620 1.00 NPSR1 (0.39) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL25005896 0.94 NPSR1 (0.41) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224274 0.94 NPSR1 (0.41) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL23994719 0.91 NPSR1 (0.39) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224893 0.90 NPSR1 (0.41) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL23994494 0.89 NPSR1 (0.40) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224427 0.89 NPSR1 (0.40) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224462 0.88 NPSR1 (0.42) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL23994436 0.88 NPSR1 (0.37) NPSR1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL30224848 0.88 NPSR1 (0.37) NPSR1ATMMEN1KMT2ASMN1; SMN2

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 NPSR1 1783/4885ATM 1522/4885MEN1 3132/4885

“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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