SCHEMBL26962822

SCHEMBL26962822

Cc1nnc(-c2nc(-c3cc4c(cc3F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N4Cc3ccc(Cl)cc3)no2)o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 5/20 0.36
▸ P2RX3 P56373 6/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ SRC P12931 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL26961686 0.92 FAAH (0.33) BDKRB1HDAC1HDAC8HDAC6SRC
SCHEMBL26961865 0.88 HDAC6 (0.38) BDKRB1P2RX3POLBMAPTHDAC1
SCHEMBL29796828 0.88 HDAC6 (0.38) BDKRB1P2RX3POLBMAPTHDAC1
SCHEMBL26961792 0.86 BDKRB1 (0.35) BDKRB1P2RX3POLBMAPTHDAC1
SCHEMBL26962186 0.86 HDAC6 (0.36) BDKRB1P2RX3POLBMAPTHDAC1
SCHEMBL32670508 0.86 HDAC6 (0.38) BDKRB1P2RX3POLBMAPTHDAC1
SCHEMBL26962114 0.85 BDKRB1 (0.34) BDKRB1P2RX3POLBMAPTHDAC1
SCHEMBL26961670 0.85 BDKRB1 (0.35) BDKRB1P2RX3POLBMAPTSRC
SCHEMBL29796949 0.84 POLB (0.35) P2RX3POLBMAPTSRC
SCHEMBL29796826 0.84 POLB (0.35) P2RX3POLBMAPTSRC

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 BDKRB1 11/4885P2RX3 632/4885POLB 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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