SCHEMBL5654491

SCHEMBL5654491

Nc1nc(N)n2nc(-c3ccco3)nc2c1C(Cc1cc(Cl)nc(Cl)c1)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.42
ADORA3 P0DMS8 5/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 3/20 0.42
CSNK1A1 P48729 3/20 0.42
CSNK1D P48730 3/20 0.42
CSNK1E P49674 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PIK3CD O00329 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL5654270 0.93 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BCSNK1A1
SCHEMBL5652923 0.84 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2BCSNK1A1
SCHEMBL5102744 0.83 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5652433 0.82 ADORA3 (0.40) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6010413 0.77 ADORA2A (0.39) ADORA2AADORA3ADORA1ADORA2BCSNK1A1
SCHEMBL6010465 0.75 ADORA2A (0.37) ADORA2AADORA1
SCHEMBL5109141 0.73 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5096016 0.73 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL5785842 0.72 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5654486 0.70 ADORA2A (0.51) ADORA2A

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 ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885

“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.