SCHEMBL14224935

SCHEMBL14224935

CCCCCc1nc(N)c2nc(OC)n(CC)c2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.50
ADORA1 P30542 4/20 0.50
ADORA2B P29275 3/20 0.50
ADORA3 P0DMS8 1/20 0.50
TLR7 Q9NYK1 3/20 0.49
PDE8B O95263 2/20 0.38
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GRK6 P43250 2/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL14225457 0.89 TLR7 (0.50) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL1146422 0.79 TLR7 (0.53) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL10121588 0.78 ADORA2A (0.38) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL1847650 0.74 HSP90AA1 (0.42) ADORA2AADORA1ADORA2BHSP90AA1HSP90AB1
SCHEMBL10174179 0.74 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL13233221 0.72 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL13233223 0.71 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PDE8B
SCHEMBL1001748 0.69 TLR7 (0.64) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL25515677 0.69 TLR7 (0.56) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL20275365 0.69 TLR7 (0.53) TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575340-B2 Purine derivatives and their pharmaceutical uses GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 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-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES STING1, IFNG, IRF3 ADORA2A 48/4885ADORA1 23/4885ADORA2B 42/4885

“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.