SCHEMBL2200219

SCHEMBL2200219

CCCCNc1nc(N)c2nc(OC)n(CC[C@H]3CCOC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.41
ADORA2A P29274 4/20 0.38
ADORA2B P29275 4/20 0.38
ADORA1 P30542 4/20 0.38
TMIGD3 P0DMS9 3/20 0.38
TLR8 Q9NR97 1/20 0.36
MERTK Q12866 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL2198806 1.00 TLR7 (0.41) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2199072 1.00 TLR7 (0.41) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2199308 0.95 TLR7 (0.42) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2199002 0.95 TLR7 (0.46) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2201499 0.95 TLR7 (0.41) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2196256 0.91 TLR7 (0.44) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2197546 0.90 TLR7 (0.44) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2199298 0.90 TLR7 (0.43) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2201744 0.89 TLR7 (0.47) TLR7ADORA2AADORA2BADORA1TMIGD3
SCHEMBL2198893 0.89 TLR7 (0.44) TLR7ADORA2AADORA2BADORA1TMIGD3

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 16 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

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.