SCHEMBL13855565

SCHEMBL13855565

C=C[C@]1(O)[C@@H](C)O[C@@H](n2c(C)nc3c(N)nc(OC4CCCC4)nc32)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
TLR7 Q9NYK1 1/20 0.32
AMD1 P17707 2/20 0.31

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
SCHEMBL13855569 0.85 ADORA2A (0.39) ADORA2AADORA2BTLR7
SCHEMBL3888524 0.83 ADORA2A (0.59) ADORA2AADORA2B
SCHEMBL13855563 0.81 ADORA3 (0.39) ADORA2AAMD1
SCHEMBL13855562 0.79 ADORA2A (0.49) ADORA2AADORA2BAMD1
SCHEMBL4239724 0.72 ADORA2A (0.51) ADORA2AADORA2B
SCHEMBL3882647 0.72 ADORA2A (0.54) ADORA2AADORA2B
SCHEMBL3880247 0.71 ADORA2A (0.48) ADORA2AADORA2B
SCHEMBL4239470 0.71 ADORA2A (0.48) ADORA2AADORA2B
SCHEMBL4239465 0.71 ADORA2A (0.48) ADORA2AADORA2B
SCHEMBL4031221 0.70 ADORA2A (0.50) ADORA2AADORA2B

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 37/4885ADORA2B 51/4885TLR7 214/4885

“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.