SCHEMBL26962091

SCHEMBL26962091

CC(Nc1nnc(-c2cc3c(cc2F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N3Cc2ccc(Cl)cc2)o1)C1CC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.34
▸ SRC P12931 3/20 0.32
▸ XIAP P98170 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.30
▸ SCN9A Q15858 2/20 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
SCHEMBL29270792 0.89 SRC (0.33) P2RX3SRCXIAPPOLBMAPT
SCHEMBL26962121 0.87 P2RX3 (0.33) P2RX3XIAPKDM4D
SCHEMBL26961847 0.86 POLB (0.34) P2RX3SRCXIAPPOLBMAPT
SCHEMBL29796836 0.86 POLB (0.35) P2RX3SRCXIAPPOLBMAPT
SCHEMBL26961996 0.86 POLB (0.35) P2RX3SRCXIAPPOLBMAPT
SCHEMBL26961890 0.85 NOTUM (0.34) P2RX3SRCXIAPPOLBMAPT
SCHEMBL29796949 0.85 POLB (0.35) P2RX3SRCXIAPPOLBMAPT
SCHEMBL26961878 0.85 POLB (0.35) P2RX3SRCXIAPPOLBMAPT
SCHEMBL29796826 0.85 POLB (0.35) P2RX3SRCXIAPPOLBMAPT
SCHEMBL26961647 0.85 POLB (0.35) P2RX3SRCXIAPPOLBMAPT

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 P2RX3 632/4885SRC 2202/4885XIAP 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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