SCHEMBL22652006

SCHEMBL22652006

O=[N+]([O-])c1ccc(N2CCOCC2)cc1Br

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.69
PKM P14618 1/20 0.69
ALDH1A1 P00352 10/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 5/20 0.57
CYP2C9 P11712 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL16943474 0.88 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL18036523 0.86 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL40059 0.84 HPGD (0.68) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2589998 0.82 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2445796 0.82 LMNA (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL443596 0.82 HPGD (0.73) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL1911905 0.82 MAPT (1.00) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5058321 0.82 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2910036 0.82 SIRT6 (0.69) MAPTALDH1A1MAPK1
SCHEMBL29788558 0.82 HPGD (0.73) MAPTPKMALDH1A1SMN1; SMN2NPSR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4618977-A1 LRRK2 INHIBITORS AND USES THEREOF Neuron23, Inc. (US) 2025-09-24 EP disclosed
CN-119775277-A 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 2025-04-08 CN disclosed
CN-114793435-B 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 2024-10-01 CN disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-20240208972-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-06-27 US disclosed
WO-2024108128-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. (US) 2024-05-23 WO disclosed
WO-2024108116-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. (US) 2024-05-23 WO 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
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-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 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
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2021-05-06 US 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
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2020-11-12 US disclosed
CN-111217816-A FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2020-06-02 CN 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-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 MAPT 940/4885PKM 1845/4885ALDH1A1 2251/4885
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 MAPT 817/4885PKM 1207/4885ALDH1A1 2271/4885
US-20240208972-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 MAPT 151/4885PKM 690/4885ALDH1A1 4316/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 MAPT 151/4885PKM 690/4885ALDH1A1 4316/4885

“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.