SCHEMBL3053547

SCHEMBL3053547

COc1cccc2sc(NC(=O)OC(C)(C)C)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.70
DUSP3 P51452 3/20 0.62
CHRM4 P08173 1/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TMIGD3 P0DMS9 1/20 0.60
ADORA1 P30542 1/20 0.60
PPARG P37231 1/20 0.60
NR2E3 Q9Y5X4 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
MAPT P10636 6/20 0.58
GAA P10253 3/20 0.58
ACP1 P24666 1/20 0.55
LMNA P02545 5/20 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
SCHEMBL3047328 0.88 DYRK1A (0.80) DYRK1ADUSP3CHRM4MEN1KMT2A
SCHEMBL29164089 0.87 MAPT (0.54) DYRK1ADUSP3CHRM4MEN1KMT2A
SCHEMBL23183609 0.85 DYRK1A (0.67) DYRK1ADUSP3CHRM4MAPTLCK
SCHEMBL1284899 0.85 MAPT (0.76) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL3283781 0.84 MAPT (0.55) DYRK1ADUSP3MAPTLCK
SCHEMBL29454481 0.84 LCK (0.56) DYRK1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL1284898 0.84 MAPT (0.55) DYRK1ADUSP3CHRM4MAPTLCK
SCHEMBL23974266 0.84 LCK (0.56) DYRK1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL23183610 0.83 DYRK1A (0.49) DYRK1ADUSP3CHRM4MEN1KMT2A
SCHEMBL20660046 0.83 DYRK1A (0.80) DYRK1ADUSP3CHRM4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 US disclosed
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-29 US disclosed
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-08 US disclosed
EP-1303272-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PARKINSON'S DISEASE HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 EP disclosed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US disclosed
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 US disclosed
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2005-02-03 US disclosed
US-6835732-B2 Modulation of the adenosine A2A receptor; cardioprotective agents; antiischemic agents; antihypoxia agents; central nervous system disorders, Alzheimer's disease, Parkinson's disease, anxiolytic agents; antidepressants; analgesics HOFFMAN-LA ROCHE INC. 2004-12-28 US disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 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 (8 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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DYRK1A 1066/4885DUSP3 4041/4885CHRM4 1202/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 DYRK1A 1066/4885DUSP3 4041/4885CHRM4 1202/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 DYRK1A 1115/4885DUSP3 3928/4885CHRM4 1545/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DYRK1A 1066/4885DUSP3 4041/4885CHRM4 1202/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DYRK1A 1066/4885DUSP3 4041/4885CHRM4 1202/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DYRK1A 1051/4885DUSP3 4141/4885CHRM4 977/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 DYRK1A 1115/4885DUSP3 3928/4885CHRM4 1545/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DYRK1A 1066/4885DUSP3 4041/4885CHRM4 1202/4885

“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.