SCHEMBL26962172

SCHEMBL26962172

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4CN(C(=O)OCc5ccccc5)CC(F)(F)C4)o3)cc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.36
▸ XIAP P98170 1/20 0.35
▸ ABHD6 Q9BV23 2/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ F7 P08709 2/20 0.32
▸ F3 P13726 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CA2 P00918 2/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ DGAT2 Q96PD7 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
SCHEMBL26961737 0.94 XIAP (0.36) SRCXIAPPDE4BNPY1RF7
SCHEMBL26962135 0.89 ABHD6 (0.33) ABHD6DAGLAP2RX7PDE4BNPY1R
SCHEMBL31375601 0.89 XIAP (0.34) SRCXIAPPDE4BNPY1RF7
SCHEMBL26961894 0.85 SRC (0.33) SRCXIAPPDE4BNPY1RALDH1A1
SCHEMBL29796933 0.85 SRC (0.33) SRCXIAPPDE4BNPY1RALDH1A1
SCHEMBL26962006 0.85 SRC (0.33) SRCXIAPPDE4BNPY1RALDH1A1
SCHEMBL26962000 0.84 PDE4B (0.40) SRCXIAPPDE4BNPY1RGAA
SCHEMBL26962322 0.83 PDE4B (0.33) XIAPPDE4BNPY1RALDH1A1GAA
SCHEMBL29797032 0.81 ABHD6 (0.33) SRCXIAPABHD6DAGLANPY1R
SCHEMBL26961815 0.81 ABHD6 (0.33) SRCXIAPABHD6DAGLANPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 SRC 2202/4885XIAP 3779/4885ABHD6 3029/4885

“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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