SCHEMBL4298068

SCHEMBL4298068

CCOc1nc2c(N)ncnc2n1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.57
ADORA1 P30542 17/20 0.57
ADORA2B P29275 14/20 0.57
ADORA3 P0DMS8 9/20 0.50
PI4KA P42356 3/20 0.50
PI4K2B Q8TCG2 3/20 0.50
PI4K2A Q9BTU6 3/20 0.50
PI4KB Q9UBF8 3/20 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
SCHEMBL29394367 0.83 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL15689328 0.83 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL23621012 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18520815 0.76 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL23621142 0.76 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4239755 0.75 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL4402912 0.74 ADORA2A (0.66) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL23621027 0.74 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3
SCHEMBL8832637 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL2980005 0.73 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3PI4KA

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 33/4885ADORA1 23/4885ADORA2B 46/4885

“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.