SCHEMBL5653776

SCHEMBL5653776

CNc1nc(N)n2nc(-c3ccco3)nc2c1C(C)(c1cc2ccccc2o1)C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 3/20 0.42
ADA P00813 11/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL5410921 0.78 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6010326 0.78 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL6010032 0.73 ADORA2A (0.37) ADORA2AADORA1
SCHEMBL6010413 0.68 ADORA2A (0.39) ADORA2AADORA3ADORA1ADORA2BCSNK1A1
SCHEMBL6010331 0.66 ADORA2A (0.45) ADORA2A
SCHEMBL6010317 0.66 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5651588 0.64 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6009990 0.63 ADORA2A (0.41) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5656150 0.63 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL6010043 0.62 ADORA2A (0.36) 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 1 patent. 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

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.