SCHEMBL2994543

SCHEMBL2994543

COc1cc([N+](=O)[O-])ccc1Cn1nnc2c(-c3ccc(C)o3)nc(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.57
ADORA3 P0DMS8 18/20 0.57
ADORA2B P29275 18/20 0.57
ADORA1 P30542 18/20 0.57

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
SCHEMBL2982294 0.86 ADORA3 (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2992358 0.84 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2988030 0.84 ADORA3 (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2988512 0.84 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2991218 0.83 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2984927 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4046228 0.83 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2989863 0.83 ADORA3 (0.47) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4047921 0.82 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2991330 0.81 ADORA2A (0.57) 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 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 1/4885ADORA3 13/4885ADORA2B 16/4885

“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.