SCHEMBL3667779

SCHEMBL3667779

Nc1ccc(CN2CCC(CO)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HRH3 Q9Y5N1 3/20 0.56
LMNA P02545 1/20 0.54
ACHE P22303 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
GBA1 P04062 2/20 0.51
LTA4H P09960 2/20 0.51
CCR3 P51677 1/20 0.49
GAA P10253 1/20 0.47
CXCR4 P61073 1/20 0.46

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
SCHEMBL13343789 0.87 ACHE (0.55) ALDH1A1HRH3LMNAACHESIGMAR1
SCHEMBL27883986 0.84 ACHE (0.55) HRH3ACHESIGMAR1LTA4HCCR3
SCHEMBL3142114 0.83 SIGMAR1 (0.53) HRH3ACHESIGMAR1LTA4HCCR3
SCHEMBL4592063 0.83 ALDH1A1 (0.54) ALDH1A1HRH3ACHESIGMAR1LTA4H
SCHEMBL1505926 0.83
SCHEMBL3156587 0.83 LMNA (0.59) ALDH1A1HRH3LMNAACHESIGMAR1
SCHEMBL12504038 0.83 HRH3 (0.56) ALDH1A1HRH3LMNAACHELTA4H
SCHEMBL349053 0.82 CCR3 (0.71) ALDH1A1ACHESIGMAR1LTA4HCCR3
SCHEMBL3158673 0.82 ALDH1A1 (0.61) ALDH1A1HRH3LMNAACHESIGMAR1
SCHEMBL20804048 0.82 HRH3 (0.59) ALDH1A1HRH3LMNAACHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO claimed
WO-2023080732-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-05-11 WO disclosed
EP-3823969-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2021-05-26 EP disclosed
WO-2020016129-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-01-23 WO disclosed
CN-107001318-A N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system 克罗诺斯治疗有限公司 2017-08-01 CN disclosed
EP-3194385-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM Chronos Therapeutics Limited (GB) 2017-07-26 EP disclosed
WO-2016042453-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS CONNOLLY PETER J 2008-12-04 US disclosed
EP-1994020-A2 SUBSTITUTED QUINOLONES III AiCuris GmbH & Co. KG (DE) 2008-11-26 EP disclosed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 WO disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 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 (3 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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885HRH3 2500/4885LMNA 2852/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 ALDH1A1 924/4885HRH3 1681/4885LMNA 3244/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885HRH3 2500/4885LMNA 2852/4885

“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.