SCHEMBL26961779

SCHEMBL26961779

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C(C)(C)C)o3)cc2N(Cc2ccc(OC(F)(F)C(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.39
▸ XIAP P98170 1/20 0.38
▸ NPY1R P25929 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ RIPK1 Q13546 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ F7 P08709 5/20 0.31
▸ F3 P13726 5/20 0.31
▸ F2 P00734 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ NPC1 O15118 1/20 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
SCHEMBL29797058 1.00 SRC (0.39) SRCXIAPNPY1RHDAC6RIPK1
SCHEMBL29796984 0.94 SRC (0.38) SRCXIAPNPY1RHDAC6
SCHEMBL26962177 0.94 SRC (0.38) SRCXIAPNPY1RHDAC6
SCHEMBL26962547 0.87 SRC (0.36) SRCXIAPNPY1RHDAC6
SCHEMBL26961640 0.86 NPY1R (0.35) NPY1RHDAC6HCRTR1HCRTR2S1PR4
SCHEMBL26962291 0.85 SRC (0.37) SRCXIAPNPY1RHDAC6SCN9A
SCHEMBL29796785 0.84 SRC (0.34) SRCXIAPNPY1R
SCHEMBL26961653 0.84 SRC (0.34) SRCXIAPNPY1R
SCHEMBL29796857 0.83 SRC (0.36) SRCXIAPNPY1RHCRTR1HCRTR2
SCHEMBL26961825 0.83 SRC (0.36) SRCXIAPNPY1RHCRTR1HCRTR2

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 2 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

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 SRC 2202/4885XIAP 3779/4885NPY1R 113/4885

“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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