Sugi Predict

Sugi Predict / Compounds / SCHEMBL1060752

SCHEMBL1060752

SCHEMBL1060752

Cc1cc(F)ccc1-c1nc(C(N)C(C)O)nc2c1ccc(=O)n2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 4/20 0.36
▸ MAPK12 P53778 4/20 0.36
▸ MAPK11 Q15759 4/20 0.36
▸ MAPK14 Q16539 4/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAT2A P31153 2/20 0.35
▸ HMGCR P04035 1/20 0.34
▸ CTSA P10619 5/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ REN P00797 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A2 O94788 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CG P48736 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
SCHEMBL1066611 0.88 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1065296 0.81 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1060754 0.81 CDK4 (0.35) MEN1KMT2AALDH1A1
SCHEMBL1065734 0.81 MAT2A (0.37) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1065187 0.80 ALDH1A1 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1064227 0.79 HSP90AB1 (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1064575 0.78 MAT2A (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5113184 0.77 SCN9A (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1067500 0.76 MAT2A (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1064725 0.71 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116697-A1 Novel compounds GLAXOSMITHKLINE LLC 2004-06-17 — — US 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
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-7314881-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-01-01 — — 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-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

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 MAPK13 43/4885MAPK12 85/4885MAPK11 94/4885
US-20080033170-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK13 43/4885MAPK12 85/4885MAPK11 94/4885
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 MAPK13 80/4885MAPK12 90/4885MAPK11 112/4885
US-20080032969-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK13 43/4885MAPK12 85/4885MAPK11 94/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK13 43/4885MAPK12 85/4885MAPK11 94/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 MAPK13 25/4885MAPK12 60/4885MAPK11 52/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB MAPK13 43/4885MAPK12 85/4885MAPK11 94/4885

“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.