SCHEMBL26962114

SCHEMBL26962114

CN(C)Cc1nc(-c2cc3c(cc2F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N3Cc2ccc(Cl)cc2)no1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 4/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ P2RX3 P56373 3/20 0.32
▸ XIAP P98170 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ SRC P12931 2/20 0.32
▸ KDM4D Q6B0I6 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL26961865 0.89 HDAC6 (0.38) BDKRB1POLBMAPTP2RX3HDAC1
SCHEMBL29796828 0.89 HDAC6 (0.38) BDKRB1POLBMAPTP2RX3HDAC1
SCHEMBL26962186 0.86 HDAC6 (0.36) BDKRB1POLBMAPTP2RX3HDAC1
SCHEMBL32670508 0.86 HDAC6 (0.38) BDKRB1S1PR1POLBMAPTP2RX3
SCHEMBL26962261 0.86 S1PR1 (0.34) BDKRB1S1PR1POLBMAPTP2RX3
SCHEMBL26962822 0.85 BDKRB1 (0.36) BDKRB1S1PR1POLBMAPTP2RX3
SCHEMBL26962242 0.85 HDAC6 (0.37) BDKRB1S1PR1POLBMAPTP2RX3
SCHEMBL26961673 0.84 POLB (0.36) BDKRB1POLBMAPTP2RX3XIAP
SCHEMBL29796799 0.84 POLB (0.36) BDKRB1POLBMAPTP2RX3XIAP
SCHEMBL26961797 0.83 AGTR1 (0.37) POLBMAPTP2RX3RIPK1

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 BDKRB1 11/4885S1PR1 480/4885POLB 3285/4885

“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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