SCHEMBL26961874

SCHEMBL26961874

CN1CCCC(F)(c2nnc(-c3ccc4c(c3)N(Cc3ccc(Cl)cc3)C(=O)[C@@H](NC(=O)OC(C)(C)C)CS4)o2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.34
▸ XIAP P98170 1/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ USP30 Q70CQ3 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 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
SCHEMBL26962164 0.88 PDK2 (0.33) XIAPPDK2CCR1USP30USP2
SCHEMBL29270684 0.85 USP30 (0.33) PDK2USP30USP2ALOX15HSD17B10
SCHEMBL26961823 0.83 XIAP (0.32) SRCXIAPPDK2NPY1R
SCHEMBL26962120 0.83 JAK2 (0.34) SRCXIAPPDK2P2RX3
SCHEMBL26961942 0.82 XIAP (0.33) SRCXIAPNPY1RP2RX3POLB
SCHEMBL29270821 0.81 XIAP (0.38) SRCXIAPUSP30USP2ALOX15
SCHEMBL26962039 0.80 XIAP (0.36) SRCXIAPCCR1NPY1R
SCHEMBL26962811 0.80 XIAP (0.35) SRCXIAPNPY1RP2RX3POLB
SCHEMBL26961957 0.80 XIAP (0.35) SRCXIAPUSP2ALOX15HSD17B10
SCHEMBL31143125 0.80 SRC (0.36) SRCXIAPPDK2NPY1RMAPT

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 SRC 2202/4885XIAP 3779/4885PDK2 897/4885

“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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