SCHEMBL5113181

SCHEMBL5113181

Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.39
CCND1 P24385 11/20 0.39
CCND2 P30279 8/20 0.39
CCND3 P30281 8/20 0.39
PIK3CA P42336 6/20 0.37
MTOR P42345 2/20 0.37
CCNT1 O60563 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CDK6 Q00534 2/20 0.36
MAPK14 Q16539 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
NUAK1 O60285 1/20 0.35
MARK3 P27448 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
MARK4 Q96L34 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
SCHEMBL1061522 0.96 MAPK14 (0.37) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1065733 0.88 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1065185 0.86 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10203610 0.85 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10202438 0.85 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10204225 0.84 CCND1 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1061081 0.83 MAPK14 (0.36) CDK4CCND1CCND2CCND3MAPK14
SCHEMBL13256063 0.83 CDK4 (0.40) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1065266 0.82 MAPK14 (0.39) CDK4CCND1CCND2CCND3CCNT1
SCHEMBL5113184 0.81 SCN9A (0.39) CDK4CCND1CCND2CCND3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314881-B2 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-01-01 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-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-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-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-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-20080032969-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2008-02-07 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-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-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
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

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-20080033170-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB CDK4 163/4885CCND1 1431/4885CCND2 1749/4885
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 CDK4 31/4885CCND1 806/4885CCND2 799/4885
US-20080032969-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB CDK4 163/4885CCND1 1431/4885CCND2 1749/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB CDK4 163/4885CCND1 1431/4885CCND2 1749/4885

“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.