SCHEMBL5458957

SCHEMBL5458957

CCOc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.75
ADORA1 P30542 13/20 0.60

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
SCHEMBL5461268 0.93 ADORA2A (0.79) ADORA2AADORA1
SCHEMBL5473590 0.92 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL5456334 0.92 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL5462649 0.89 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL5452394 0.88 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL5473545 0.88 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL5466590 0.87 ADORA2A (0.76) ADORA2AADORA1
SCHEMBL5451814 0.87 ADORA2A (0.79) ADORA2AADORA1
SCHEMBL5452425 0.87 ADORA2A (0.79) ADORA2AADORA1
SCHEMBL5459643 0.87 ADORA2A (0.79) 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-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP ADORA2A 96/4885ADORA1 149/4885

“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.