SCHEMBL5560780

SCHEMBL5560780

COc1cc(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.63
ADORA1 P30542 14/20 0.63
ADORA2B P29275 4/20 0.62
ADORA3 P0DMS8 2/20 0.62

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
SCHEMBL5561440 0.93 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561019 0.92 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5560995 0.92 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5566040 0.92 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5566933 0.92 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3048203 0.91 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL8358666 0.91 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3049490 0.90 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561171 0.90 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561416 0.90 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448198-B1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-10-31 EP claimed
EP-1448198-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-25 EP claimed
US-6620811-B2 Adenosine receptor antagonists; nervous system and cardiovascular disorders; Parkinson*s, Huntington*s, and Alzheimer* disease; antiasthmatics, antiallergens HOFFMANN-LA ROCHE INC. 2003-09-16 US claimed
US-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles F.HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US claimed
WO-2003043636-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 WO claimed
EP-1448198-B1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-10-31 EP disclosed
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP disclosed
EP-1448198-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-25 EP disclosed
EP-1448196-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. Hoffmann-La Roche AG (CH) 2004-08-25 EP disclosed
US-6620811-B2 Adenosine receptor antagonists; nervous system and cardiovascular disorders; Parkinson*s, Huntington*s, and Alzheimer* disease; antiasthmatics, antiallergens HOFFMANN-LA ROCHE INC. 2003-09-16 US disclosed
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 disclosed
US-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles F.HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US disclosed
WO-2003043636-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 WO disclosed
WO-2003043634-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 WO disclosed
WO-2003043634-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 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 (1 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-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885ADORA2B 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.