SCHEMBL7700993

SCHEMBL7700993

COc1ccc(N2CCOCC2)c2sc(NC(=O)c3cccc(CCN4CCCC4)c3)nc12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.63
ADORA1 P30542 13/20 0.63
ADORA2B P29275 2/20 0.55
ADORA3 P0DMS8 1/20 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
SCHEMBL3052359 0.92 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7149427 0.90 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3058336 0.88 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3044514 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3045800 0.84 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3058049 0.84 ADORA2A (0.66) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3052325 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3047856 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5560877 0.82 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3051859 0.82 ADORA2A (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US 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 (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-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.