SCHEMBL21810740

SCHEMBL21810740

COC(=O)c1cc(Nc2ncc(Cl)cc2F)c(-c2cn(C)c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1CS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.44
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ RRM1 P23921 1/20 0.31
▸ RRM2B Q7LG56 1/20 0.31
▸ PIK3C3 Q8NEB9 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL30736992 0.93 BRD4 (0.43) BRD4PIK3C3
SCHEMBL22367472 0.93 BRD4 (0.43) BRD4PIK3C3
SCHEMBL21847421 0.82 BRD4 (0.48) BRD4
SCHEMBL23647192 0.82 BRD4 (0.51) BRD4KDM4EALDH1A1HPGDPIK3C3
SCHEMBL30736961 0.82 BRD4 (0.51) BRD4KDM4EALDH1A1HPGDPIK3C3
SCHEMBL17492759 0.78 BRD4 (0.48) BRD4
SCHEMBL29223379 0.77 BRD4 (0.43) BRD4PIK3C3
SCHEMBL22367539 0.75 BRD4 (0.51) BRD4
SCHEMBL28570084 0.75 BRD4 (0.49) BRD4
SCHEMBL17492703 0.74 BRD4 (0.55) BRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4342543-B1 TERT-BUTYL 2-(4-PHENYL-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER HOFFMANN LA ROCHE (CH) 2026-04-29 — — EP disclosed
US-20250084096-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2025-03-13 — — US disclosed
US-12152040-B2 Tert-butyl (s)-2-(4-(phenyl)-6H-thieno[3, 2-f][1, 2, 4]triazolo[4, 3-a] [1,4]diazepin-6-yl) acetate derivatives and related compounds as bromodomain BRD4 inhibitors for treating cancer GENENTECH, INC. (US) 2024-11-26 — — US disclosed
EP-3849987-B1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER HOFFMANN LA ROCHE (CH) 2024-04-17 — — EP disclosed
EP-4342543-A2 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER F. Hoffmann-La Roche AG (CH) 2024-03-27 — — EP disclosed
US-20210221821-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2021-07-22 — — US disclosed
EP-3849987-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER F. Hoffmann-La Roche AG (CH) 2021-07-21 — — EP disclosed
WO-2020055976-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2020-03-19 — — 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 (3 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-20210221821-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER BRD4, BRD3, BRD2 BRD4 1/4885KDM4E 342/4885ALDH1A1 4236/4885
US-20250084096-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER BRD4, BRD3, BRD2 BRD4 1/4885KDM4E 342/4885ALDH1A1 4236/4885
US-12152040-B2 Tert-butyl (s)-2-(4-(phenyl)-6H-thieno[3, 2-f][1, 2, 4]triazolo[4, 3-a] [1,4]diazepin-6-yl) acetate derivatives and related compounds as bromodomain BRD4 inhibitors for treating cancer BRD4, BRD3, BRD2 BRD4 1/4885KDM4E 342/4885ALDH1A1 4236/4885

“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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