SCHEMBL5653322

SCHEMBL5653322

Nc1cc2nc(-c3ccco3)nn2c(N)n1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.71
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59

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
SCHEMBL6047213 0.87 ADORA2A (0.82) ADORA2A
SCHEMBL12612295 0.86 ADORA2A (0.68) ADORA2AADORA2BADORA1
SCHEMBL19596873 0.86 ADORA2A (0.68) ADORA2A
SCHEMBL3541623 0.86 ADORA2A (0.68) ADORA2AADORA2BADORA1
SCHEMBL6047334 0.83 ADORA2A (1.00) ADORA2A
SCHEMBL6047223 0.82 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL6047272 0.82 ADORA2A (0.64) ADORA2A
SCHEMBL3548138 0.82 ADORA2A (0.63) ADORA2AADORA2BADORA1
SCHEMBL6047175 0.81 ADORA2A (0.66) ADORA2A
SCHEMBL6047331 0.81 ADORA2A (0.81) ADORA2A

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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-01-11 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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885ADORA1 3/4885

“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.