SCHEMBL26961673

SCHEMBL26961673

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3cc(C(C)(C)C)no3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RIPK1 Q13546 1/20 0.34
▸ P2RX3 P56373 5/20 0.34
▸ XIAP P98170 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ SRC P12931 2/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CCKBR P32239 1/20 0.32
▸ TP53 P04637 2/20 0.32

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
SCHEMBL29796799 1.00 POLB (0.36) POLBMAPTRIPK1P2RX3XIAP
SCHEMBL29796828 0.88 HDAC6 (0.38) POLBMAPTRIPK1P2RX3BDKRB1
SCHEMBL26961865 0.88 HDAC6 (0.38) POLBMAPTRIPK1P2RX3BDKRB1
SCHEMBL26961797 0.88 AGTR1 (0.37) POLBMAPTRIPK1P2RX3NPY1R
SCHEMBL26961897 0.87 MAPT (0.41) POLBMAPTP2RX3XIAPNPY1R
SCHEMBL26961670 0.86 BDKRB1 (0.35) POLBMAPTRIPK1P2RX3XIAP
SCHEMBL29796826 0.85 POLB (0.35) POLBMAPTP2RX3XIAPNPY1R
SCHEMBL26961878 0.85 POLB (0.35) POLBMAPTP2RX3XIAPNPY1R
SCHEMBL26961858 0.85 POLB (0.35) POLBMAPTRIPK1P2RX3XIAP
SCHEMBL29796949 0.84 POLB (0.35) POLBMAPTP2RX3XIAPNPY1R

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
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

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 POLB 3285/4885MAPT 2781/4885RIPK1 1608/4885

“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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