SCHEMBL5416151

SCHEMBL5416151

Nc1nc(NC2CCN(Cc3ccccc3)C2)nc2nc(-c3ccco3)nn12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.66
ADORA1 P30542 5/20 0.66
ADORA3 P0DMS8 3/20 0.66
ADORA2B P29275 2/20 0.66

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
SCHEMBL5408777 0.95 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5418792 0.85 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL9326962 0.81 ADORA2A (0.98) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5411130 0.80 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL9327282 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5418348 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7834626 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5420803 0.76 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL27339883 0.76 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL27340302 0.76 ADORA2A (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285550-B2 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2007-10-23 US claimed
US-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. 2006-12-07 US claimed
EP-1615930-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA, Inc. (US) 2006-01-18 EP claimed
WO-2004092170-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGON ISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO 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-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“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.