SCHEMBL6899158

SCHEMBL6899158

Cc1ccc(-c2nc(N)nc3c2nnn3C(c2ccccc2)[N+](=O)[O-])o1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.50
ADORA3 P0DMS8 5/20 0.50
ADORA2B P29275 5/20 0.50
ADORA1 P30542 5/20 0.50

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
SCHEMBL6906219 0.77 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6903430 0.75 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6899152 0.73 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6906303 0.71 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2988512 0.71 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4046641 0.70 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2992358 0.70 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2995678 0.69 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4044812 0.68 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2988037 0.68 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1

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 7/4885ADORA3 17/4885ADORA2B 40/4885

“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.