SCHEMBL23780759

SCHEMBL23780759

C[C@@H]1COCCN1c1cc(CS(C)(=O)=O)c2ccn(COCC[Si](C)(C)C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 12/20 0.49
▸ ATRIP Q8WXE1 11/20 0.49
▸ PIK3CA P42336 7/20 0.43
▸ MTOR P42345 6/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ CHEK1 O14757 7/20 0.39
▸ PDCD1 Q15116 7/20 0.39
▸ CD274 Q9NZQ7 7/20 0.39

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
SCHEMBL23780760 1.00 ATR (0.49) ATRATRIPPIK3CAMTORPIK3CD
SCHEMBL29678436 1.00 ATR (0.49) ATRATRIPPIK3CAMTORPIK3CD
SCHEMBL23780757 0.90 ATR (0.48) ATRATRIPPIK3CAMTORPIK3CD
SCHEMBL29678463 0.90 ATR (0.48) ATRATRIPPIK3CAMTORPIK3CD
SCHEMBL23780755 0.90 ATR (0.48) ATRATRIPPIK3CAMTORPIK3CD
SCHEMBL23780781 0.88 ATR (0.51) ATRATRIPMTOR
SCHEMBL23780779 0.88 ATR (0.51) ATRATRIPMTOR
SCHEMBL23780784 0.88 ATR (0.51) ATRATRIPPIK3CAMTOR
SCHEMBL23780785 0.88 ATR (0.51) ATRATRIPPIK3CAMTOR
SCHEMBL29678485 0.88 ATR (0.51) ATRATRIPMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC (CA) 2025-06-05 — — US disclosed
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors REPARE THERAPEUTICS INC. (CA) 2025-04-01 — — US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 — — US disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 — — US 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 (4 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-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ATR 1/4885ATRIP 11/4885PIK3CA 126/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ATR 1/4885ATRIP 5/4885PIK3CA 402/4885
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors ATR, CHEK2, CHEK1 ATR 1/4885ATRIP 11/4885PIK3CA 126/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ATR 1/4885ATRIP 11/4885PIK3CA 126/4885

“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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