SCHEMBL30540679

SCHEMBL30540679

C[C@H]1CCCN(Cc2cc(C(=O)O)nc3ccn(COCC[Si](C)(C)C)c23)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HRH3 Q9Y5N1 8/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HRH4 Q9H3N8 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
SCHEMBL30540488 0.92 GRM2 (0.37) KLKB1KDM4ETERTTP53RXFP1
SCHEMBL30540617 0.92 TERT (0.35) KLKB1KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL30540453 0.84 KLKB1 (0.39) KLKB1KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL30540512 0.84 HRH3 (0.39) KDM4ELMNAALDH1A1HRH3TP53
SCHEMBL30540580 0.83 KLKB1 (0.37) KLKB1KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL30577653 0.81 KLKB1 (0.36) KLKB1KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL25353088 0.81 TERT (0.42) KDM4ELMNAALDH1A1L3MBTL1HRH3
SCHEMBL30577552 0.81 TERT (0.42) KDM4ELMNAALDH1A1L3MBTL1HRH3
SCHEMBL31578220 0.77 CBLB (0.51) TERT
SCHEMBL31115338 0.77 KDM4E (0.36) KLKB1KDM4ELMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 — — US disclosed
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 — — EP disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 — — CN disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — 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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG KLKB1 3730/4885KDM4E 996/4885LMNA 2546/4885

“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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