SCHEMBL5109101

SCHEMBL5109101

CN(CC1CCCN1)c1cc(N)n2nc(-c3ccco3)nc2n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.43

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
SCHEMBL5656150 0.85 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL5095982 0.80 ADORA2A (0.47) ADORA2A
SCHEMBL5096071 0.76
SCHEMBL5410869 0.73 ADORA2A (0.62) ADORA3ADORA2BADORA2AADORA1
SCHEMBL6010317 0.70 ADORA2A (0.43) ADORA3ADORA2BADORA2AADORA1
SCHEMBL6010026 0.70 ADORA2A (0.45) ADORA3ADORA2BADORA2AADORA1
SCHEMBL5103136 0.69 ADORA2A (0.63) ADORA3ADORA2BADORA2AADORA1
SCHEMBL5651588 0.69 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6009718 0.68
SCHEMBL3542516 0.67 ADORA2A (0.60) ADORA3ADORA2BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070932-A1 Triazolo[ 1,5-A] Pyrimidines And Pyrazolo[ 1,5-A] Pyrimidines And Methods Of Making And Using The Same BIOGEN IDEC MA INC. 2008-03-20 US disclosed
EP-1618108-A2 TRIAZOLO[1,5-A]PYRIMIDINES AND PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-01-25 EP disclosed
WO-2004092171-A2 TRIAZOLO[1,5-A]PYRIMIDINES AND PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS A2A ADENOSIN E 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-20080070932-A1 Triazolo[ 1,5-A] Pyrimidines And Pyrazolo[ 1,5-A] Pyrimidines And Methods Of Making And Using The Same ADORA2B, ADORA2A, ADORA1 ADORA3 4/4885ADORA2B 1/4885ADORA2A 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.