SCHEMBL2824784

SCHEMBL2824784

COc1ccc(N2CCOCC2)c2sc(N)nc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.59
ADORA1 P30542 13/20 0.59
ADORA2B P29275 4/20 0.55
ADORA3 P0DMS8 2/20 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
SCHEMBL13362261 0.87 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3055076 0.87 ALDH1A1 (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6691865 0.86 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3057234 0.86 ALDH1A1 (0.46) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3052496 0.86 ALDH1A1 (0.47) ADORA2AADORA1ADORA2BADORA3
SCHEMBL2828410 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3057681 0.85 HTR3E (0.47) ADORA2AADORA1
SCHEMBL2825553 0.83 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4774805 0.83 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL8358665 0.83 HPGD (0.44) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635256-B1 A2A ANTAGONISTS AS COGNITION AND MOTOR FUNCTION ENHANCERS BIOTIE THERAPIES INC (US) 2020-10-21 EP claimed
EP-2182803-A1 4-HYDROXY-4-METHYL-PIPERIDINE-1-CARBOXYLIC ACID (4-METHOXY-7-MORPHOLIN-4-YL-BENZOTHIAZOL-2-YL)-AMIDE FOR THE TREATMENT OF POST-TRAUMATIC STRESS DISORDER Synosia Therapeutics (US) 2010-05-12 EP claimed
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP claimed
US-20090082341-A1 4-hydroxy-4-methyl-piperidine-1-carboxylic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide FOR THE TREATMENT OF POST-TRAUMATIC STRESS DISORDER SYNOSIA THERAPEUTICS (US) 2009-03-26 US claimed
WO-2009015236-A1 4-HYDROXY-4-METHYL-PIPERIDINE-1-CARBOXYLIC ACID (4-METHOXY-7-MORPHOLIN-4-YL-BENZOTHIAZOL-2-YL)-AMIDE FOR THE TREATMENT OF POST-TRAUMATIC STRESS DISORDER SYNOSIA THERAPEUTICS (US) 2009-01-29 WO claimed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
JP-2008500295-A 2008-01-10 JP claimed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US claimed
EP-1753760-B1 4-HYDROXY-4-METHYL-PIPERIDINE-1-CARBOXYLIC ACID (4-METHOXY-7-MORPHOLIN-4-YL-BENZOTHIAZOL-2-YL)-AMIDE HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 EP claimed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US claimed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US claimed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US claimed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US claimed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 WO claimed
WO-2003043634-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 WO claimed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US claimed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO claimed

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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ADORA2B 3/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 4/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 4/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 4/4885

“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.