SCHEMBL23092185

SCHEMBL23092185

Nc1ccc(C2=CCOCC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.42
▸ HTR1D P28221 1/20 0.40
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.37
▸ FABP7 O15540 3/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ FABP5 Q01469 2/20 0.35
▸ FABP3 P05413 1/20 0.35
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CG P48736 2/20 0.33

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
SCHEMBL23105031 0.81 BACE1 (0.42) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL14720958 0.81 BACE1 (0.42) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL970743 0.81 HTR1D (0.40) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL20092136 0.77 AAK1 (0.40) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL15507834 0.77 ALDH1A1 (0.54) BACE1HTR1DIKBKETBK1AAK1
SCHEMBL14320398 0.77 BACE1 (0.42) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL4772120 0.77 HTR2C (0.46) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL26560458 0.76 HTR1D (0.43) BACE1HTR1DIKBKETBK1KCNH2
SCHEMBL8651066 0.76 KMT2A (0.56) BACE1IKBKETBK1FABP7FABP5
SCHEMBL30047103 0.75 PIK3CA (0.45) BACE1IKBKETBK1KCNH2PIK3CD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361237-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2025-11-27 — — US disclosed
US-12384788-B2 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as LRRK2, NUAK1 and/or TYK2 kinase modulators for the treatment of e.g. autoimmune disease ORIGENIS GMBH (DE) 2025-08-12 — — US disclosed
EP-4327884-A2 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASES Origenis GmbH (DE) 2024-02-28 — — EP disclosed
EP-4327884-A2 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASES Origenis GmbH (DE) 2024-02-28 — — EP disclosed
EP-4028017-B1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASES ORIGENIS GMBH (DE) 2023-12-06 — — EP disclosed
US-20220380374-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2022-12-01 — — US disclosed
US-20220380373-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2022-12-01 — — US disclosed
EP-4028016-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE Origenis GmbH (DE) 2022-07-20 — — EP disclosed
EP-4028017-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE Origenis GmbH (DE) 2022-07-20 — — EP disclosed
WO-2021048620-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2021-03-18 — — WO disclosed
WO-2021048618-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2021-03-18 — — 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 (4 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-12384788-B2 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as LRRK2, NUAK1 and/or TYK2 kinase modulators for the treatment of e.g. autoimmune disease NUAK1, TYK2, MARK1 BACE1 244/4885HTR1D 390/4885IKBKE 406/4885
US-20220380374-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 BACE1 244/4885HTR1D 391/4885IKBKE 412/4885
US-20220380373-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 BACE1 244/4885HTR1D 390/4885IKBKE 406/4885
US-20250361237-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 BACE1 244/4885HTR1D 390/4885IKBKE 406/4885

“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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