SCHEMBL2990696

SCHEMBL2990696

COc1cc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.52
ADORA2B P29275 19/20 0.52
ADORA1 P30542 19/20 0.52
ADORA3 P0DMS8 18/20 0.52

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
SCHEMBL2983615 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2991683 0.87 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2987465 0.86 ADORA2A (0.72) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2980138 0.86 ADORA3 (0.52) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2991167 0.86 ADORA2A (0.47) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2984927 0.84 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2990232 0.83 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2990319 0.83 ADORA2A (0.73) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2984275 0.82 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2988030 0.82 ADORA3 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. 2010-07-08 US claimed
EP-2117313-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2009-11-18 EP claimed
WO-2008088927-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-07-24 WO claimed
US-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. 2010-07-08 US disclosed
EP-2117313-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2009-11-18 EP disclosed
WO-2008088927-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-07-24 WO 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-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME ADORA2A, P2RY1, P2RY6 ADORA2A 1/4885ADORA2B 16/4885ADORA1 8/4885

“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.