SCHEMBL7154679

SCHEMBL7154679

COc1ccc(N2CCOCC2)c2sc(-c3c(C(N)=O)ccnc3N3CCN(C)C(=O)C3)nc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.46
ADORA1 P30542 13/20 0.46
ADORA2B P29275 4/20 0.45
ADORA3 P0DMS8 2/20 0.45
MAPK10 P53779 1/20 0.42

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
SCHEMBL5567071 0.86 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3MAPK10
SCHEMBL6615141 0.84 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3MAPK10
SCHEMBL5713438 0.76 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3MAPK10
SCHEMBL7146619 0.75 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5566888 0.75 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6017195 0.75 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3MAPK10
SCHEMBL2825553 0.74 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5038587 0.71 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7154672 0.71 ADORA2A (0.43) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5713547 0.71 TP53 (0.41) 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-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.