SCHEMBL2199473

SCHEMBL2199473

Nc1nc(OCC2CCCO2)nc2c1nc(Br)n2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 11/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NSD2 O96028 1/20 0.38
TSHR P16473 1/20 0.38
ADORA2A P29274 4/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2B P29275 3/20 0.37
TLR7 Q9NYK1 2/20 0.37

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
SCHEMBL4554123 1.00 PDE8B (0.39) PDE8BKDM4EALDH1A1GAACASP1
SCHEMBL12157657 0.99 PDE8B (0.38) PDE8BKDM4EALDH1A1GAACASP1
SCHEMBL2199490 0.88 ADORA2A (0.46) PDE8BHSD17B10MAPK1ADORA2AADORA3
SCHEMBL12726866 0.87 TLR7 (0.41) ADORA2AADORA3ADORA1ADORA2BTLR7
SCHEMBL2198242 0.86 ALDH1A1 (0.40) PDE8BKDM4EALDH1A1GAACASP1
SCHEMBL21975293 0.85 ADORA2A (0.33) PDE8BADORA2AADORA3ADORA1ADORA2B
SCHEMBL12157659 0.84 PDE8B (0.40) PDE8BKDM4EALDH1A1GAACASP1
SCHEMBL31124752 0.84 ADORA2A (0.41) ADORA2AADORA3ADORA1ADORA2BTLR7
SCHEMBL2199789 0.83 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2BTLR7
SCHEMBL2198592 0.83 TLR7 (0.41) PDE8BADORA2AADORA3ADORA1ADORA2B

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 19 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
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 PDE8B 1844/4885KDM4E 3304/4885ALDH1A1 2313/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R PDE8B 1844/4885KDM4E 3304/4885ALDH1A1 2313/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 PDE8B 1270/4885KDM4E 4586/4885ALDH1A1 1673/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PDE8B 1844/4885KDM4E 3304/4885ALDH1A1 2313/4885

“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.