SCHEMBL5408722

SCHEMBL5408722

Nc1nc(N2CCN(Cc3ccccn3)CC2)nc2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL5405816 0.86 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL5413238 0.86 ADORA2A (0.60) ADORA2AADORA1DRD2DRD4DRD3
SCHEMBL5426661 0.85 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL5405896 0.85 ADORA2A (0.52) ADORA2AADORA1
SCHEMBL5418811 0.84 ADORA2A (0.55) ADORA2AADORA1DRD2DRD4DRD3
SCHEMBL5413540 0.83 ADORA2A (0.53) ADORA2AADORA1DRD2DRD4DRD3
SCHEMBL5413520 0.82 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL5417198 0.80 ADORA2A (0.77) ADORA2AADORA1
SCHEMBL5420831 0.80 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL5421674 0.80 ADORA2A (0.51) ADORA2AADORA1

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 3/4885DRD2 159/4885

“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.