SCHEMBL5560877

SCHEMBL5560877

COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(NCCN4CCCCC4)c3)nc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.60
ADORA1 P30542 12/20 0.60
ADORA2B P29275 3/20 0.53
ADORA3 P0DMS8 2/20 0.53

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
SCHEMBL5561377 0.96 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561004 0.90 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5046168 0.90 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5560957 0.88 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5560986 0.88 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561829 0.87 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561301 0.87 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5561341 0.87 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5563197 0.87 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5565923 0.86 ADORA2A (0.61) 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 6 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
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
EP-1448198-B1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-10-31 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-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles F.HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US 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.