SCHEMBL2198368

SCHEMBL2198368

Nc1nc(Cl)nc2c1nc(Br)n2CC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.42
PDE8A O60658 1/20 0.40
TLR7 Q9NYK1 6/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PIK3CA P42336 1/20 0.34
CNR2 P34972 2/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2B P29275 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDK1 P06493 1/20 0.32
TLR8 Q9NR97 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PNP P00491 1/20 0.32

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
SCHEMBL14123272 0.85 PDE8B (0.42) PDE8BPDE8ATLR7HSP90AA1HSP90AB1
SCHEMBL2198664 0.81 PDE8B (0.40) PDE8BPDE8ATLR7PIK3CACNR2
SCHEMBL3320276 0.78 ADORA2A (0.40) PDE8BTLR7ADORA2AADORA1ADORA2B
SCHEMBL3321834 0.77 PDE5A (0.40) PDE8BADORA2AADORA1ADORA2BPDE1A
SCHEMBL2198895 0.77 TLR7 (0.45) PDE8BTLR7ADORA2AADORA1ADORA2B
SCHEMBL2198112 0.74 PDE8A (0.60) PDE8BPDE8AADORA2AADORA1ADORA3
SCHEMBL12028042 0.73 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3CDK1
SCHEMBL12028110 0.69 YTHDC1 (0.42) PDE8BPDE8AADORA2AADORA1ADORA2B
SCHEMBL14024982 0.69 ADORA2A (0.62) HSP90AA1HSP90AB1ADORA2AADORA1ADORA2B
SCHEMBL2913215 0.68 ADORA2A (0.67) TLR7ADORA2AADORA1ADORA2BTLR8

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 PDE8B 1844/4885PDE8A 1673/4885TLR7 38/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R PDE8B 1844/4885PDE8A 1673/4885TLR7 38/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 PDE8B 1270/4885PDE8A 1336/4885TLR7 58/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PDE8B 1844/4885PDE8A 1673/4885TLR7 38/4885

“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.