SCHEMBL5652433

SCHEMBL5652433

Nc1nc(N)n2nc(-c3ccco3)nc2c1C(Cc1cccc(F)c1F)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 5/20 0.39
ADA P00813 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL5652923 0.88 ADORA2A (0.44) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5109141 0.83 ADORA2A (0.42) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5654491 0.82 ADORA2A (0.42) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5654270 0.80 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5096016 0.78 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL6010001 0.75 ADORA2A (0.38) ADORA2AADORA1
SCHEMBL5654222 0.74 CHRM5 (0.36)
SCHEMBL6010413 0.72 ADORA2A (0.39) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5652423 0.72
SCHEMBL5102744 0.70 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2B

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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-01-11 US claimed
EP-1618109-A2 TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-01-25 EP claimed
WO-2004092172-A2 TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSIN E RECEPTOR ANTAGONISTS 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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADA 48/4885

“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.