SCHEMBL2198943

SCHEMBL2198943

CCCCNc1nc(N)c2nc(OC)n(CCC3CCCO3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.41
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
ADORA2B P29275 4/20 0.39
TMIGD3 P0DMS9 4/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
THRB P10828 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2198837 0.97 TLR7 (0.41) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2198539 0.95 TLR7 (0.42) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2196431 0.94 TLR7 (0.45) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2198080 0.93 TLR7 (0.42) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL1920109 0.92 ALDH1A1 (0.40) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2198968 0.92 TLR7 (0.46) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL1919249 0.89 TLR7 (0.39) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL1920583 0.89 ALDH1A1 (0.40) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2195658 0.88 PDE8B (0.46) TLR7ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2201499 0.86 TLR7 (0.41) TLR7ADORA2AADORA1ADORA2BTMIGD3

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 18 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
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP 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 907/4885ADORA1 694/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R TLR7 38/4885ADORA2A 907/4885ADORA1 694/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 TLR7 58/4885ADORA2A 54/4885ADORA1 39/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R TLR7 38/4885ADORA2A 907/4885ADORA1 694/4885

“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.