SCHEMBL6867678

SCHEMBL6867678

COc1ccc(N(C)C(C)=O)c2sc(N)nc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 19/20 0.59
▸ ADORA2A P29274 17/20 0.59
▸ ADORA1 P30542 17/20 0.59
▸ CYP3A4 P08684 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL6876424 0.83 CYP3A4 (0.50) ADORA2BADORA2AADORA1CYP3A4TDP1
SCHEMBL4128905 0.78 ALDH1A1 (0.61) CYP3A4TDP1
SCHEMBL5713537 0.75 ADORA2B (0.44) ADORA2BADORA2AADORA1CYP3A4TDP1
SCHEMBL6874009 0.75 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL3057508 0.75 ADORA2A (0.61) ADORA2BADORA2AADORA1CYP3A4TDP1
SCHEMBL3044411 0.74 ALDH1A1 (0.47) CYP3A4TDP1
SCHEMBL6875429 0.74 TDP1 (0.56) CYP3A4TDP1
SCHEMBL5206462 0.72 ALDH1A1 (0.56) CYP3A4TDP1
SCHEMBL6873739 0.72 CYP3A4 (0.39) ADORA2BADORA2AADORA1CYP3A4TDP1
SCHEMBL21902256 0.71 CYP3A4 (0.53) ADORA2BADORA2AADORA1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
US-6713499-B2 ADENOSINE RECEPTOR AGONIST HOFFMAN-LA ROCHE INC. 2004-03-30 — — US disclosed
US-20030153566-A1 7-Amino-benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US disclosed
WO-2003053946-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 — — 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-20030153566-A1 7-Amino-benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885ADORA1 1/4885

“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.

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