SCHEMBL6903430

SCHEMBL6903430

Cc1ccccc1C(n1nnc2c(-c3ccco3)nc(N)nc21)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.55
ADORA2B P29275 20/20 0.55
ADORA1 P30542 20/20 0.55
ADORA3 P0DMS8 19/20 0.55

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
SCHEMBL6906303 0.89 ADORA2A (0.55) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6906219 0.83 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6899158 0.75 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4046709 0.73 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4045294 0.72 ADORA2A (0.74) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4052122 0.72 ADORA2A (0.57) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4054166 0.71 ADORA2A (0.73) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4044677 0.71 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4045629 0.71 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4050029 0.70 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3

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-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US claimed

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-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 ADORA2A 7/4885ADORA2B 40/4885ADORA1 19/4885

“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.