SCHEMBL5407813

SCHEMBL5407813

CC(C)(C)OC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA1 P30542 7/20 1.00
ADORA3 P0DMS8 3/20 0.63

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
SCHEMBL3548863 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA3
SCHEMBL6625559 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA3
SCHEMBL6624923 0.83 ADORA2A (0.73) ADORA2AADORA1ADORA3
SCHEMBL3548866 0.80 ADORA2A (0.66) ADORA2AADORA1ADORA3
SCHEMBL9325811 0.79 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL5411010 0.79 ADORA2A (0.75) ADORA2AADORA1ADORA3
SCHEMBL26471603 0.78 ADORA2A (0.97) ADORA2AADORA1
SCHEMBL9327279 0.77 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL5410878 0.76 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL3187492 0.76 ADORA2A (0.61) 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 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 disclosed
US-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. 2006-12-07 US disclosed
EP-1615930-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA, Inc. (US) 2006-01-18 EP disclosed
WO-2004092170-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGON ISTS 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-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.