SCHEMBL4046360

SCHEMBL4046360

Cc1ccc(S(=O)(=O)O)c(-c2nc(N)nc(-c3ccco3)c2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.48
ADORA1 P30542 17/20 0.48
ADORA3 P0DMS8 4/20 0.37
ADORA2B P29275 4/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4046354 1.00 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL13322066 0.74 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4051900 0.73 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL4052390 0.73 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7144408 0.70 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL7146688 0.70 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7145305 0.68 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7151666 0.67 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL9435084 0.67 ATM (0.42) ALDH1A1
Ammonia Solution, Strong SCHEMBL7146839 0.66 ADORA2A (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP disclosed
US-7405219-B2 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-07-29 US disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 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-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ADORA2A 2/4885ADORA1 12/4885ADORA3 6/4885

“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.