SCHEMBL26961978

SCHEMBL26961978

Cc1cc2c(cc1-c1nnc(C(C)(C)C#N)o1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XIAP P98170 2/20 0.33
▸ SRC P12931 3/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ CCKBR P32239 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CACNB4 O00305 1/20 0.30
▸ CACNA1A O00555 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNG3 O60359 1/20 0.30
▸ CACNA1F O60840 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNB3 P54284 1/20 0.30
▸ CACNA2D1 P54289 1/20 0.30
▸ CACNG7 P62955 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
SCHEMBL29796919 0.94 POLB (0.36) POLBMAPTXIAPSRCNPY1R
SCHEMBL26962249 0.94 POLB (0.36) POLBMAPTXIAPSRCNPY1R
SCHEMBL29797063 0.88 CNR2 (0.36) POLBMAPTXIAPSRCCNR2
SCHEMBL26961718 0.88 POLB (0.36) POLBMAPTXIAPSRCNPY1R
SCHEMBL26962025 0.88 CNR2 (0.36) POLBMAPTXIAPSRCCNR2
SCHEMBL29796902 0.88 POLB (0.36) POLBMAPTXIAPSRCNPY1R
SCHEMBL29796826 0.87 POLB (0.35) POLBMAPTXIAPSRCNPY1R
SCHEMBL26962062 0.87 POLB (0.35) POLBMAPTXIAPSRCNPY1R
SCHEMBL26961878 0.87 POLB (0.35) POLBMAPTXIAPSRCNPY1R
SCHEMBL26961938 0.86 NPY1R (0.35) POLBMAPTXIAPSRCNPY1R

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 2781/4885XIAP 3779/4885

“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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