SCHEMBL26962006

SCHEMBL26962006

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3nnc(C4CN(C(=O)OCc5ccccc5)CC(F)(F)C4)o3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL29796933 1.00 SRC (0.33) SRCPDE4BXIAPRORCPARP1
SCHEMBL26961894 0.95 SRC (0.33) SRCPDE4BXIAPRORCPARP1
SCHEMBL26961737 0.91 XIAP (0.36) SRCPDE4BXIAPRORCNPY1R
SCHEMBL26962145 0.90 S1PR1 (0.33) SRCPDE4BXIAPRORCPARP1
SCHEMBL26962067 0.89 PDE4B (0.32) PDE4BRORCPARP1NPY1RALDH1A1
SCHEMBL26962172 0.85 SRC (0.36) SRCPDE4BXIAPNPY1RALDH1A1
SCHEMBL26961712 0.85 THRB (0.33) PDE4BRORCPARP1NPY1RMAPT
SCHEMBL29796907 0.83 — —
SCHEMBL26961855 0.83 — —
SCHEMBL31375601 0.83 XIAP (0.34) SRCPDE4BXIAPNPY1R

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-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
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN 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 2202/4885PDE4B 2683/4885XIAP 3779/4885

“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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