SCHEMBL6899152

SCHEMBL6899152

Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.73
ADORA1 P30542 16/20 0.73
ADORA3 P0DMS8 15/20 0.73
ADORA2B P29275 15/20 0.73

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
SCHEMBL4046641 0.93 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4044812 0.85 ADORA2A (0.81) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4048327 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
Hydrochloric Acid SCHEMBL4049008 0.84 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2995678 0.84 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2988037 0.83 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4048848 0.83 ADORA3 (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2988512 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4046228 0.82 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2992358 0.81 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2B

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 7/4885ADORA1 19/4885ADORA3 17/4885

“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.