SCHEMBL5041817

SCHEMBL5041817

O=C1c2ccccc2-c2nnccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.53
▸ PTPRC P08575 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ PTPN13 Q12923 1/20 0.53
▸ MAOB P27338 7/20 0.52
▸ NPC1 O15118 4/20 0.50
▸ PKM P14618 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ AGTR1 P30556 2/20 0.50
▸ MAOA P21397 1/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ TDP2 O95551 1/20 0.47

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
SCHEMBL6575939 0.96 PTPRC (0.59) CTSLPTPRCCTSSPTPN13MAOB
SCHEMBL6607479 0.92 MAOB (0.50) CTSLPTPRCCTSSPTPN13MAOB
SCHEMBL3786936 0.83 PTPRC (0.52) CTSLPTPRCCTSSPTPN13MAOB
SCHEMBL30799541 0.74 PTPRC (0.91) CTSLPTPRCCTSSPTPN13MAPT
SCHEMBL69772 0.74 PTPRC (0.91) CTSLPTPRCCTSSPTPN13MAPT
Anthraquinone SCHEMBL27935127 0.71 MEN1 (0.86) CTSLPTPRCCTSSPTPN13MAOB
Anthraquinone SCHEMBL28117181 0.71 MEN1 (0.86) CTSLPTPRCCTSSPTPN13MAOB
Anthraquinone SCHEMBL1901249 0.71 MEN1 (1.00) PTPRCMAOBNPC1RAB9AMAPT
Anthraquinone SCHEMBL29358690 0.71 MEN1 (1.00) PTPRCMAOBNPC1RAB9AMAPT
Anthraquinone SCHEMBL14943 0.71 MEN1 (1.00) PTPRCMAOBNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746406-A 3, 4-diazafluorenone derivatives, method for synthesizing the same, and electronic device containing the 3, 4-diazafluorenone derivatives 苏州久显新材料有限公司 2020-02-04 — — CN claimed
CN-102002003-A Class I diazafluorenone, fluorene and spiro-fluorene derivative, and preparation method and application thereof UNIV EAST CHINA NORMAL 2011-04-06 — — CN claimed
US-20240055657-A1 AMPHIPHILIC COMPLEXING AGENTS FOR IMPROVED MEMBRANE COMPATIBILITY AND STABILITY OF REDOX SPECIES WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-02-15 — — US disclosed
CN-110746406-A 3, 4-diazafluorenone derivatives, method for synthesizing the same, and electronic device containing the 3, 4-diazafluorenone derivatives 苏州久显新材料有限公司 2020-02-04 — — CN disclosed
CN-110746406-A 3, 4-diazafluorenone derivatives, method for synthesizing the same, and electronic device containing the 3, 4-diazafluorenone derivatives 苏州久显新材料有限公司 2020-02-04 — — CN disclosed
CN-110746406-A 3, 4-diazafluorenone derivatives, method for synthesizing the same, and electronic device containing the 3, 4-diazafluorenone derivatives 苏州久显新材料有限公司 2020-02-04 — — CN disclosed
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 — — US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 — — US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 — — US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 — — US disclosed
EP-2592075-B1 PYRIDAZINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2015-04-29 — — EP disclosed
US-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 — — US disclosed
EP-1812408-B1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIV NORTHWESTERN (US) 2013-10-09 — — EP disclosed
EP-2592075-A1 Pyridazine compounds for the treatment of inflammatory diseases Northwestern University (US) 2013-05-15 — — EP disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 — — US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 — — US disclosed
CN-102002003-A Class I diazafluorenone, fluorene and spiro-fluorene derivative, and preparation method and application thereof UNIV EAST CHINA NORMAL 2011-04-06 — — CN disclosed
CN-102002003-A Class I diazafluorenone, fluorene and spiro-fluorene derivative, and preparation method and application thereof UNIV EAST CHINA NORMAL 2011-04-06 — — CN disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 — — US 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CTSL 4360/4885PTPRC 783/4885CTSS 3397/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 CTSL 4204/4885PTPRC 647/4885CTSS 3249/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CTSL 4350/4885PTPRC 780/4885CTSS 3364/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CTSL 4360/4885PTPRC 783/4885CTSS 3397/4885

“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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