SCHEMBL5103136

SCHEMBL5103136

Nc1cc(N)n2nc(-c3ccco3)nc2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.63
ADORA2B P29275 6/20 0.63
ADORA1 P30542 6/20 0.63
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ADORA3 P0DMS8 6/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CSNK1A1 P48729 2/20 0.50
CSNK1D P48730 2/20 0.50
CSNK1E P49674 1/20 0.50

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
SCHEMBL3542516 0.86 ADORA2A (0.60) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL23447728 0.82 ADORA3 (0.64) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL30153455 0.81 ADORA2A (0.61) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL3626717 0.79 ADORA2A (0.66) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL24901916 0.79 ADORA2A (0.53) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL24901912 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL5428722 0.78 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5653322 0.77 ADORA2A (0.71) ADORA2AADORA2BADORA1
SCHEMBL23413556 0.76 ADORA2A (0.53) ADORA2AADORA2BADORA1ALDH1A1ADORA3
SCHEMBL9326944 0.75 ADORA2A (0.74) ADORA2AADORA2BADORA1ALDH1A1ADORA3

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-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

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 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.