SCHEMBL3529339

SCHEMBL3529339

Cc1cc(F)ccc1-c1nc(C(N)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.51
MAPK11 Q15759 8/20 0.51
MAPK13 O15264 7/20 0.51
MAPK12 P53778 7/20 0.51
KCNH2 Q12809 1/20 0.51
PRKD3 O94806 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPK10 P53779 1/20 0.38
ROCK1 Q13464 1/20 0.38
ACVR2B Q13705 1/20 0.38
MYLK Q15746 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
NLK Q9UBE8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALK Q9UM73 1/20 0.38
DHODH Q02127 1/20 0.35
KIF5C O60282 1/20 0.35
KIF11 P52732 1/20 0.35
KIF5A Q12840 1/20 0.35

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
SCHEMBL1062125 0.86 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1065592 0.86 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1066248 0.85 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1065137 0.83 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL3528918 0.83 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1065155 0.82 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1065794 0.82 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL5105130 0.82 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1059157 0.81 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1066611 0.81 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759486-B2 Substituted 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds, e.g., 8-(2,6-Difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one; CSBP/p38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-07-20 US disclosed
US-20090105478-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20080032969-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2008-02-07 US disclosed
US-20080033170-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2008-02-07 US disclosed
US-7323472-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-01-29 US disclosed
US-7314881-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-01-01 US disclosed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP 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 (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-20090105478-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK11 94/4885MAPK13 43/4885
US-20080033170-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK11 94/4885MAPK13 43/4885
US-20080032969-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK11 94/4885MAPK13 43/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 MAPK14 22/4885MAPK11 52/4885MAPK13 25/4885

“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.