SCHEMBL2199449

SCHEMBL2199449

Nc1nc(N)c2nc(CC3CCCC3)n(CC3CCOCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 3/20 0.40
TLR7 Q9NYK1 10/20 0.40
ADORA2A P29274 3/20 0.39
PIK3CA P42336 2/20 0.35
TLR8 Q9NR97 1/20 0.35
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL2199421 0.99 ADORA2A (0.41) PDE8BTLR7ADORA2APIK3CATLR8
SCHEMBL2201074 0.80 TLR7 (0.57) PDE8BTLR7ADORA2APIK3CATLR8
SCHEMBL3441183 0.74 TLR7 (0.47) PDE8BTLR7ADORA2APDE1APDE1B
SCHEMBL3320276 0.69 ADORA2A (0.40) PDE8BTLR7ADORA2APDE1APDE1B
SCHEMBL3321834 0.68 PDE5A (0.40) PDE8BADORA2APDE1APDE1BPDE1C
SCHEMBL14123272 0.68 PDE8B (0.42) PDE8BTLR7TLR8ADORA3
SCHEMBL2198368 0.68 PDE8B (0.42) PDE8BTLR7ADORA2APIK3CATLR8
SCHEMBL5401433 0.68 TLR7 (0.40) TLR7ADORA2ATLR8ADORA3ADORA2B
SCHEMBL2197755 0.67 TLR7 (0.44) PDE8BTLR7ADORA2APIK3CAPDE1A
SCHEMBL2198664 0.65 PDE8B (0.40) PDE8BTLR7ADORA2APIK3CATLR8

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-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 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-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PDE8B 1844/4885TLR7 38/4885ADORA2A 907/4885

“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.