SCHEMBL1065104

SCHEMBL1065104

CSc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.42
MAPK14 Q16539 9/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
MAPK13 O15264 6/20 0.33
MAPK12 P53778 6/20 0.33
MAPK11 Q15759 6/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
FABP1 P07148 1/20 0.32
KCNH2 Q12809 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL3277461 0.85 MAPK14 (0.58) HSP90AB1MAPK14
SCHEMBL3526112 0.84 HSP90AB1 (0.41) HSP90AB1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2339747 0.83 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL5228095 0.78 MAPK14 (0.59) HSP90AB1MAPK14MAPK11
SCHEMBL3563458 0.78 HSP90AB1 (0.41) HSP90AB1MAPK14SMN1; SMN2KCNH2
SCHEMBL1065731 0.77 MAPK14 (0.40) MAPK14SMN1; SMN2MAPTKDM4EHTR7
SCHEMBL5225374 0.77 MAPK14 (0.52) HSP90AB1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3282615 0.74 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11PDE4A
SCHEMBL5224292 0.74 MAPK14 (0.53) HSP90AB1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3531957 0.72 MAPK14 (0.34) HSP90AB1MAPK14MAPK13MAPK12MAPK11

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404603-A1 Novel trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds for the treatment of CSBP/p38 kinase mediated diseases Glaxosmithkline LLC (US) 2012-01-11 EP claimed
EP-1333833-B1 Novel trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compound for the treatment of CSBP/p38 kinase mediated diseases GLAXOSMITHKLINE LLC (US) 2011-08-24 EP claimed
JP-4524072-B2 2010-08-11 JP claimed
US-7323472-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-01-29 US claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP claimed
US-20040116697-A1 Novel compounds GLAXOSMITHKLINE LLC 2004-06-17 US claimed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP claimed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO claimed
EP-2404603-A1 Novel trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds for the treatment of CSBP/p38 kinase mediated diseases Glaxosmithkline LLC (US) 2012-01-11 EP disclosed
EP-2404603-A1 Novel trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds for the treatment of CSBP/p38 kinase mediated diseases Glaxosmithkline LLC (US) 2012-01-11 EP disclosed
US-8058282-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds and compositions for use in therapy GLAXOSMITHKLINE LLC (US) 2011-11-15 US disclosed
US-8058282-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds and compositions for use in therapy GLAXOSMITHKLINE LLC (US) 2011-11-15 US disclosed
US-8058282-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds and compositions for use in therapy GLAXOSMITHKLINE LLC (US) 2011-11-15 US disclosed
US-20110046109-A1 2,4,8-TRISUBSTITUTED-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE COMPOUNDS AND COMPOSITIONS FOR USE IN THERAPY GLAXOSMITHKLINE LLC (US) 2011-02-24 US disclosed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP disclosed
US-20050203109-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 US disclosed
US-20040209901-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2004-10-21 US disclosed
US-20040116697-A1 Novel compounds GLAXOSMITHKLINE LLC 2004-06-17 US disclosed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP disclosed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 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 (3 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-20110046109-A1 2,4,8-TRISUBSTITUTED-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE COMPOUNDS AND COMPOSITIONS FOR USE IN THERAPY MAPKAPK2, MAPK8, CREBBP HSP90AB1 302/4885MAPK14 56/4885SMN1; SMN2 1119/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 HSP90AB1 451/4885MAPK14 22/4885SMN1; SMN2 2130/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB HSP90AB1 466/4885MAPK14 42/4885SMN1; SMN2 1709/4885

“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.