SCHEMBL3542019

SCHEMBL3542019

Nc1nc(N2CCC3CN(Cc4ccc(Cl)cc4)CC32)nc2nc(-c3ccco3)nn12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.70
ADORA1 P30542 7/20 0.70
ADORA3 P0DMS8 1/20 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
SCHEMBL5416027 0.80 ADORA2A (0.93) ADORA2AADORA1ADORA3
SCHEMBL3542024 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA3
SCHEMBL3542018 0.76 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL5420803 0.74 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL3548863 0.74 ADORA2A (0.72) ADORA2AADORA1ADORA3
SCHEMBL5426610 0.74 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL5416364 0.74 ADORA2A (0.78) ADORA2AADORA1
SCHEMBL5410628 0.74 ADORA2A (0.85) ADORA2AADORA1
SCHEMBL26112520 0.73 ADORA2A (0.65) ADORA2AADORA1ADORA3
SCHEMBL5413476 0.72 ADORA2A (0.93) ADORA2AADORA1ADORA3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834014-B2 Parkinson's disease; [2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol; BIOGEN IDEC MA INC. (US) 2010-11-16 US claimed
EP-1633756-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-12-24 EP claimed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US claimed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP claimed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed
US-7834014-B2 Parkinson's disease; [2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol; BIOGEN IDEC MA INC. (US) 2010-11-16 US disclosed
EP-1633756-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-12-24 EP disclosed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US disclosed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP disclosed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 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-20070173505-A1 A2a adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885

“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.