SCHEMBL26961945

SCHEMBL26961945

COC(=O)c1cncc(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ ALPL P05186 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ P2RX3 P56373 5/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PTGER1 P34995 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM5A P29375 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42

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
SCHEMBL30675668 1.00 ATM (0.50) ATMALPLDRD2TBXA2RMAPT
SCHEMBL16881118 0.86 LOXL2 (0.59) ATMMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL23120562 0.85 ATM (0.53) ATMALDH1A1LMNARAB9ANPC1
SCHEMBL16880649 0.82 KMT2A (0.47) ATMMAPTKMT2AALDH1A1RAB9A
SCHEMBL7411710 0.81 NPC1 (0.60) DRD2TBXA2RMAPTMEN1KMT2A
SCHEMBL16881124 0.81 ATM (0.46) ATMALDH1A1RAB9ACYP11B1CYP11B2
SCHEMBL16880735 0.81 KLKB1 (0.48) ATMALDH1A1CYP11B1CYP11B2
SCHEMBL16880998 0.80 SMN1; SMN2 (0.51) ATMMAPTKMT2AALDH1A1LMNA
SCHEMBL16881389 0.80 ATM (0.44) ATMMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL16881141 0.80 ATM (0.44) ATMMAPTMEN1KMT2AALDH1A1

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 ATM 2708/4885ALPL 4796/4885DRD2 130/4885

“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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