SCHEMBL2198242

SCHEMBL2198242

COc1nc2c(N)nc(OCC3CCCO3)nc2n1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
CASP1 P29466 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.39
NSD2 O96028 1/20 0.39
PDE8B O95263 13/20 0.39
CYP1A2 P05177 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR7 Q9NYK1 2/20 0.38

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
SCHEMBL12157659 0.99 PDE8B (0.40) ALDH1A1KDM4EGAACASP1HSD17B10
SCHEMBL2198172 0.89 ADORA2A (0.44) ALDH1A1KDM4EGAACASP1HSD17B10
SCHEMBL10057869 0.88 ADORA2A (0.37) PDE8BTLR7
SCHEMBL12726869 0.87 TLR7 (0.41) PDE8BTLR7
SCHEMBL21975302 0.86 PDE8B (0.32) PDE8BTLR7
SCHEMBL4554123 0.86 PDE8B (0.39) ALDH1A1KDM4EGAACASP1HSD17B10
SCHEMBL2199473 0.86 PDE8B (0.39) ALDH1A1KDM4EGAACASP1HSD17B10
SCHEMBL2200726 0.86 TLR7 (0.41) PDE8BTLR7
SCHEMBL31124759 0.85 ADORA2A (0.40) TLR7
SCHEMBL12157657 0.85 PDE8B (0.38) ALDH1A1KDM4EGAACASP1HSD17B10

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 ALDH1A1 2313/4885KDM4E 3304/4885GAA 1133/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ALDH1A1 2313/4885KDM4E 3304/4885GAA 1133/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 ALDH1A1 1673/4885KDM4E 4586/4885GAA 2861/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ALDH1A1 2313/4885KDM4E 3304/4885GAA 1133/4885

“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.