Sugi Predict

Sugi Predict / Compounds / SCHEMBL1065733

SCHEMBL1065733

SCHEMBL1065733

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 14/20 0.39
▸ CCND1 P24385 14/20 0.39
▸ CCND2 P30279 12/20 0.39
▸ CCND3 P30281 12/20 0.39
▸ PIK3CA P42336 4/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 0.35
▸ NUAK1 O60285 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ MARK2 Q7KZI7 1/20 0.35
▸ MARK4 Q96L34 1/20 0.35
▸ NUAK2 Q9H093 1/20 0.35
▸ MARK1 Q9P0L2 1/20 0.35
▸ CCNE1 P24864 3/20 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
SCHEMBL5113181 0.88 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10202438 0.87 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10203610 0.87 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1065185 0.86 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1061522 0.83 MAPK14 (0.37) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10204225 0.82 CCND1 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1060754 0.82 CDK4 (0.35) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL13256063 0.82 CDK4 (0.40) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1065734 0.81 MAT2A (0.37) CDK4CCND1CCND2CCND3MEN1
SCHEMBL1065191 0.81 CDK4 (0.35) CDK4CCND1CCND2CCND3PIK3CA

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-20050203109-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 — — US claimed
US-20040209901-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2004-10-21 — — 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-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 CDK4 163/4885CCND1 1431/4885CCND2 1749/4885
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
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 CDK4 147/4885CCND1 2107/4885CCND2 2463/4885
US-20050203109-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.