Sugi Predict

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SCHEMBL1065441

SCHEMBL1065441

CCC(CC)n1c(=O)ccc2c(-c3ccccc3F)nc(S(C)(=O)=O)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ SCD O00767 2/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ GRIA4 P48058 2/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ TLR7 Q9NYK1 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
SCHEMBL12122423 0.91 CDK4 (0.41) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL1061158 0.91 CDK4 (0.41) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL1060348 0.88 CDK4 (0.37) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL1062919 0.87 MAPK14 (0.42) ALDH1A1MAPK14
SCHEMBL1065169 0.80 MAPK14 (0.36) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL5258365 0.80 TLR8 (0.39) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1065956 0.79 MAPK14 (0.44) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL1065483 0.78 CDK1 (0.37) TP53RAB9ACLK2DYRK1ATACR3
SCHEMBL4470368 0.77 MAPK14 (0.45) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL1060740 0.77 MERTK (0.38) PTGS2TLR7PDE4BCDK4CCND1

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
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-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
US-20110009625-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-13 — — US disclosed
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-7314934-B2 4-amino substituted-6-aryl/heteroaryl substituted-2-methylsulfanyl-pyrimidine-5-carbaldehyde intermediates SMITHKLINE BEECHAM CORPORATION (US) 2008-01-01 — — 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-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 (7 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 KDM4E 2715/4885NPC1 1751/4885ALDH1A1 4362/4885
US-20080033170-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB KDM4E 2715/4885NPC1 1751/4885ALDH1A1 4362/4885
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 KDM4E 2626/4885NPC1 2076/4885ALDH1A1 4185/4885
US-20080032969-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB KDM4E 2715/4885NPC1 1751/4885ALDH1A1 4362/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB KDM4E 2715/4885NPC1 1751/4885ALDH1A1 4362/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 KDM4E 2678/4885NPC1 2122/4885ALDH1A1 4298/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB KDM4E 2715/4885NPC1 1751/4885ALDH1A1 4362/4885

“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.