SCHEMBL26961990

SCHEMBL26961990

CCc1nc(-c2cc3c(cc2F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N3Cc2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ P2RX3 P56373 5/20 0.33
▸ PYGL P06737 1/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ SRC P12931 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ AGTR1 P30556 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ MAPK9 P45984 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
SCHEMBL26961761 0.86 AGTR1 (0.43) POLBMAPTP2RX3XIAPPARP1
SCHEMBL26961905 0.85 THRB (0.34) POLBMAPTP2RX3PYGLNPY1R
SCHEMBL26961630 0.84 RORC (0.36) POLBMAPTP2RX3PYGLNPY1R
SCHEMBL26961897 0.84 MAPT (0.41) POLBMAPTP2RX3NPY1RXIAP
SCHEMBL26962033 0.84 XIAP (0.35) POLBMAPTP2RX3NPY1RXIAP
SCHEMBL26961865 0.84 HDAC6 (0.38) POLBMAPTP2RX3
SCHEMBL29796828 0.84 HDAC6 (0.38) POLBMAPTP2RX3
SCHEMBL26961864 0.84 BDKRB1 (0.35) POLBMAPTP2RX3NPY1RMEN1
SCHEMBL26961982 0.84 POLB (0.36) POLBMAPTP2RX3NPY1RMEN1
SCHEMBL29796835 0.83 POLB (0.35) POLBMAPTP2RX3NPY1RMEN1

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 POLB 3285/4885MAPT 2781/4885P2RX3 632/4885

“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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