Sugi Predict

Sugi Predict / Compounds / SCHEMBL1079025

SCHEMBL1079025

SCHEMBL1079025

Cc1cc(F)ccc1-c1nc(NC2CCC(O)CC2)nc2c1ccc(=O)n2-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.39
▸ MAPK10 P53779 4/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ MAPK9 P45984 3/20 0.38
▸ CDK1 P06493 2/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MAPK7 Q13164 1/20 0.35
▸ PSEN1 P49768 3/20 0.34
▸ PSEN2 P49810 3/20 0.34
▸ APH1B Q8WW43 3/20 0.34
▸ NCSTN Q92542 3/20 0.34
▸ APH1A Q96BI3 3/20 0.34
▸ PSENEN Q9NZ42 3/20 0.34
▸ MAPK13 O15264 1/20 0.34

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
SCHEMBL12122662 1.00 MAPK14 (0.39) MAPK14MAPK10MAPK8MAPK9CDK1
SCHEMBL1065117 0.95 MAPK14 (0.41) MAPK14MAPK10MAPK8MAPK9CDK1
SCHEMBL1065114 0.95 MAPK14 (0.41) MAPK14MAPK10MAPK8MAPK9CDK1
SCHEMBL1063630 0.91 ALOX5 (0.38) MAPK14MAPK8ADORA2APSEN1PSEN2
SCHEMBL1065100 0.90 MAPK14 (0.41) MAPK14MAPK10MAPK8MAPK9MAPK11
SCHEMBL1060497 0.88 MAPK14 (0.45) MAPK14MAPK10MAPK8MAPK9CDK1
SCHEMBL1060500 0.88 MAPK14 (0.45) MAPK14MAPK10MAPK8MAPK9CDK1
SCHEMBL1064869 0.86 MAPK8 (0.39) MAPK14MAPK10MAPK8MAPK9ADORA2A
SCHEMBL1063879 0.85 MAPK14 (0.45) MAPK14MAPK10MAPK8MAPK9MAPK13
SCHEMBL1060751 0.81 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK14 42/4885MAPK10 36/4885MAPK8 7/4885
US-20080033170-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK10 36/4885MAPK8 7/4885
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 MAPK14 56/4885MAPK10 44/4885MAPK8 2/4885
US-20080032969-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK10 36/4885MAPK8 7/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK10 36/4885MAPK8 7/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 MAPK14 22/4885MAPK10 24/4885MAPK8 6/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK10 36/4885MAPK8 7/4885

“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.