SCHEMBL5564530

SCHEMBL5564530

COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccnc(CN4CCC(O)CC4)c3)nc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.64
ADORA1 P30542 7/20 0.64
ADORA2B P29275 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5565119 0.94 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5561496 0.90 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5563915 0.84 ADORA2A (0.66) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5559771 0.84 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5558477 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5559889 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5560059 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5562254 0.83 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5566093 0.83 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5563861 0.82 ADORA2A (0.73) ADORA2AADORA1ADORA2BADORA3MEN1

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
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 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.