SCHEMBL26961629

SCHEMBL26961629

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NNC(=O)C3CN(C(=O)OCc4ccccc4)CC(F)(F)C3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SRC P12931 3/20 0.37
▸ XIAP P98170 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ THRB P10828 1/20 0.33

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
SCHEMBL26962024 0.93 SRC (0.36) TP53MAPTSMN1; SMN2LMNASRC
SCHEMBL29796895 0.91 SRC (0.35) TP53MAPTSRCXIAPALDH1A1
SCHEMBL26961789 0.91 SRC (0.35) TP53MAPTSRCXIAPALDH1A1
SCHEMBL26961694 0.85 MAPT (0.41) TP53MAPTSMN1; SMN2LMNASRC
SCHEMBL26961919 0.82 SRC (0.43) TP53MAPTSMN1; SMN2SRCXIAP
SCHEMBL26961883 0.82 SRC (0.33) MAPTSRCXIAPNPY1R
SCHEMBL29796779 0.82 SRC (0.33) MAPTSRCXIAPNPY1R
SCHEMBL26961737 0.82 XIAP (0.36) TP53SMN1; SMN2SRCXIAPALDH1A1
SCHEMBL26962158 0.81 NPC1 (0.39) TP53MAPTSMN1; SMN2LMNASRC
SCHEMBL20264038 0.80 NPC1 (0.47) TP53MAPTSMN1; SMN2LMNAXIAP

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 TP53 1233/4885MAPT 2781/4885SMN1; SMN2 3375/4885

“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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