SCHEMBL3047433

SCHEMBL3047433

COc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)c3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 3/20 0.71
ADORA1 P30542 7/20 0.60
ADORA3 P0DMS8 6/20 0.59
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
SCD O00767 1/20 0.56
CHRM4 P08173 2/20 0.55
ADORA2A P29274 3/20 0.54
ADORA2B P29275 2/20 0.54
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
PPARG P37231 1/20 0.52
PTK2B Q14289 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52

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
SCHEMBL3042846 0.93 CHRM4 (0.60) DUSP3ADORA1ADORA3MEN1KMT2A
SCHEMBL3049879 0.91 DUSP3 (0.61) DUSP3ADORA1ADORA3MEN1NPC1
SCHEMBL3052315 0.90 ADORA2B (0.67) DUSP3ADORA1NPC1KMT2ARXFP1
SCHEMBL3046423 0.89 DUSP3 (0.56) DUSP3ADORA1ADORA3SCDCHRM4
SCHEMBL3047873 0.89 CHRM4 (0.71) DUSP3ADORA1MEN1KMT2ACHRM4
SCHEMBL3054733 0.89 NPC1 (0.61) DUSP3ADORA3MEN1NPC1RAB9A
SCHEMBL3055638 0.89 DUSP3 (0.55) DUSP3ADORA1CHRM4ADORA2AADORA2B
SCHEMBL3044723 0.89 DUSP3 (0.55) DUSP3ADORA1ADORA3MEN1KMT2A
SCHEMBL3058903 0.88 DUSP3 (0.54) DUSP3ADORA1KMT2ACHRM4ADORA2A
SCHEMBL3054014 0.88 DUSP3 (0.67) DUSP3ADORA1ADORA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 US claimed
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 DUSP3 4041/4885ADORA1 2/4885ADORA3 3/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 DUSP3 4041/4885ADORA1 2/4885ADORA3 3/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 DUSP3 3928/4885ADORA1 2/4885ADORA3 3/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DUSP3 4041/4885ADORA1 2/4885ADORA3 3/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DUSP3 4041/4885ADORA1 2/4885ADORA3 3/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DUSP3 4141/4885ADORA1 2/4885ADORA3 3/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 DUSP3 3928/4885ADORA1 2/4885ADORA3 3/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 DUSP3 4041/4885ADORA1 2/4885ADORA3 3/4885

“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.