SCHEMBL3300082

SCHEMBL3300082

CC1CCCC(C)N1CC(O)c1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.71
ADORA1 P30542 17/20 0.71
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL13407761 1.00 ADORA2A (0.71) ADORA2AADORA1ADORA3
SCHEMBL13389831 1.00 ADORA2A (0.71) ADORA2AADORA1ADORA3
SCHEMBL13389364 0.88 ADORA1 (0.54) ADORA2AADORA1
SCHEMBL2303837 0.83 ADORA1 (1.00) ADORA2AADORA1
SCHEMBL13388988 0.83 ADORA1 (1.00) ADORA2AADORA1
SCHEMBL13407167 0.83 ADORA1 (1.00) ADORA2AADORA1
SCHEMBL13389653 0.82 ADORA2A (0.67) ADORA2AADORA1ADORA3
SCHEMBL3297888 0.82 ADORA2A (0.67) ADORA2AADORA1ADORA3
SCHEMBL3350962 0.81 ADORA2A (0.74) ADORA2AADORA1
SCHEMBL13389826 0.81 ADORA2A (0.71) ADORA2AADORA1

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-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885ADORA3 2/4885

“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.