SCHEMBL23092191

SCHEMBL23092191

COc1cccc(N)c1-c1c([N+](=O)[O-])cnn1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.35
ATR Q13535 1/20 0.35
MAPT P10636 4/20 0.34
PIN1 Q13526 2/20 0.34
MAPK1 P28482 3/20 0.34
BTK Q06187 1/20 0.33
APLNR P35414 1/20 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
SCHEMBL29793541 1.00 EGFR (0.38) EGFRTDP1ALDH1A1POLBLMNA
SCHEMBL23092237 0.87 ALDH1A1 (0.40) EGFRALDH1A1POLBLMNAATR
SCHEMBL23092188 0.86 POLB (0.39) EGFRTDP1ALDH1A1POLBLMNA
SCHEMBL28796322 0.81 ALDH1A1 (0.40) ALDH1A1POLBLMNAATRMAPT
SCHEMBL28796303 0.75 TSHR (0.40) EGFRALDH1A1POLBLMNAATR
SCHEMBL26695909 0.72 ALDH1A1 (0.42) EGFRALDH1A1POLBLMNAMAPT
SCHEMBL30926242 0.71 OPRK1 (0.41) EGFRTDP1ALDH1A1POLBLMNA
SCHEMBL15528303 0.69 ALDH1A1 (0.42) EGFRALDH1A1POLBLMNAMAPT
SCHEMBL165273 0.69 RXRA (0.40) TDP1ALDH1A1POLBLMNAMAPT
SCHEMBL31121566 0.69 MAPT (0.38) EGFRALDH1A1POLBLMNAMAPT

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 12 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-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
CN-115103844-A 1, 4-dihydrobenzo [ D ] pyrazolo [3,4-F ] [1,3] diazepine derivatives and related compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of e.g. autoimmune diseases 原真股份有限公司 2022-09-23 CN disclosed
CN-114793435-A 1, 4-dihydrobenzo [ D ] pyrazolo [3,4-F ] [1,3] diazepine derivatives and related compounds as modulators of LRRK2, NUAK1, and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2022-07-26 CN 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
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
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
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

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 EGFR 961/4885TDP1 440/4885ALDH1A1 2169/4885
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 EGFR 969/4885TDP1 440/4885ALDH1A1 2169/4885
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 EGFR 961/4885TDP1 440/4885ALDH1A1 2169/4885
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 EGFR 961/4885TDP1 440/4885ALDH1A1 2169/4885

“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.