SCHEMBL2198897

SCHEMBL2198897

CCOc1nc2c(N)nc(OCCC3CC3)nc2n1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
ADORA2B P29275 4/20 0.42
ADORA3 P0DMS8 1/20 0.42
TLR7 Q9NYK1 12/20 0.39

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
SCHEMBL2199802 0.91 ADORA2A (0.43) ADORA2AADORA2BADORA3TLR7
SCHEMBL2199789 0.85 ADORA2A (0.44) ADORA2AADORA2BADORA3TLR7
SCHEMBL4553782 0.85 ADORA2A (0.44) ADORA2AADORA2BADORA3TLR7
SCHEMBL10057869 0.85 ADORA2A (0.37) ADORA2AADORA2BADORA3TLR7
SCHEMBL2199084 0.82 TLR7 (0.37) ADORA2AADORA2BADORA3TLR7
SCHEMBL29809327 0.81 TLR7 (0.47) ADORA2AADORA2BTLR7
SCHEMBL567233 0.81 TLR7 (0.47) ADORA2AADORA2BTLR7
SCHEMBL2200726 0.81 TLR7 (0.41) ADORA2AADORA2BADORA3TLR7
SCHEMBL2486847 0.80 TLR7 (0.47) ADORA2AADORA2BTLR7
SCHEMBL31124759 0.80 ADORA2A (0.40) ADORA2AADORA2BADORA3TLR7

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-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 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-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885ADORA3 641/4885

“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.