SCHEMBL29796974

SCHEMBL29796974

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(C#N)cc2N(Cc2ccc(Oc3ccccc3)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.39
▸ XIAP P98170 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ SCN9A Q15858 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ F7 P08709 2/20 0.34
▸ F3 P13726 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.33
▸ NSD2 O96028 1/20 0.33

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
SCHEMBL26961693 1.00 SRC (0.39) SRCXIAPNPY1RSCN9ACHRM2
SCHEMBL26962351 0.94 XIAP (0.43) SRCXIAPNPY1RSCN9ACHRM2
SCHEMBL29796815 0.90 SRC (0.36) SRCXIAPNPY1RSCN9AKDM4D
SCHEMBL26962100 0.90 SRC (0.36) SRCXIAPNPY1RSCN9AKDM4D
SCHEMBL26961755 0.90 POLB (0.37) SRCXIAPNPY1RKDM4D
SCHEMBL29796885 0.88 SRC (0.38) SRCXIAPNPY1RSCN9AKDM4D
SCHEMBL29796966 0.88 SRC (0.39) SRCXIAPNPY1RKDM4D
SCHEMBL26961886 0.88 SRC (0.38) SRCXIAPNPY1RSCN9AKDM4D
SCHEMBL26961924 0.88 SRC (0.39) SRCXIAPNPY1RKDM4D
SCHEMBL30830343 0.88 SRC (0.36) SRCXIAPNPY1RSCN9AKDM4D

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-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2026-02-05 — — US disclosed
EP-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
WO-2024033388-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 — — WO disclosed
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — 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-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A SRC 1591/4885XIAP 4823/4885NPY1R 333/4885

“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