SCHEMBL2197755

SCHEMBL2197755

COc1nc2c(N)nc(OCC3CCCCC3)nc2n1CC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.44
ADORA2A P29274 4/20 0.42
ADORA2B P29275 2/20 0.42
PDE5A O76074 2/20 0.38
PDE8B O95263 1/20 0.35
HSPA5 P11021 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PIK3CA P42336 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
SCHEMBL12157663 0.89 TLR7 (0.42) TLR7PDE8B
SCHEMBL4554117 0.88 TLR7 (0.42) TLR7PDE8B
SCHEMBL2200121 0.88 TLR7 (0.42) TLR7PDE8B
SCHEMBL2199029 0.85 TLR7 (0.49) TLR7
SCHEMBL2197963 0.84 TLR7 (0.48) TLR7ADORA2AADORA2BPDE8BADORA3
SCHEMBL2197738 0.84 TLR7 (0.62) TLR7
SCHEMBL2198161 0.83 TLR7 (0.49) TLR7PDE8B
SCHEMBL2197718 0.83 TLR7 (0.47) TLR7ADORA2AADORA2BPDE8B
SCHEMBL12726869 0.82 TLR7 (0.41) TLR7ADORA2AADORA2BPDE8BHSPA5
SCHEMBL2196694 0.82 TLR7 (0.46) TLR7PDE8B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 WO 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 (4 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R TLR7 38/4885ADORA2A 907/4885ADORA2B 494/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R TLR7 38/4885ADORA2A 907/4885ADORA2B 494/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 TLR7 58/4885ADORA2A 54/4885ADORA2B 33/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R TLR7 38/4885ADORA2A 907/4885ADORA2B 494/4885

“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.