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SCHEMBL1065900

SCHEMBL1065900

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ ABL1 P00519 2/20 0.34
▸ SRC P12931 2/20 0.34
▸ KDM5B Q9UGL1 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 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
▸ CCNT1 O60563 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL12122399 1.00 CDK4 (0.41) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL1060307 0.89 ALDH1A1 (0.38) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL1064545 0.82 HSP90AB1 (0.43) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL12122406 0.82 HSP90AB1 (0.43) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL1065294 0.82 ADORA2A (0.40) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL1061158 0.82 CDK4 (0.41) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL12122423 0.82 CDK4 (0.41) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL1065447 0.82 ALDH1A1 (0.46) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL1060632 0.79 ALDH1A1 (0.39) ALDH1A1TP53KDM4EHPGDNPC1
SCHEMBL1061075 0.78 MAPK14 (0.45) ALDH1A1TP53KDM4EHPGDNPC1

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 23 patents — showing the first 20. 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 claimed
JP-4524072-B2 — — 2010-08-11 — — JP claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 — — EP claimed
US-20040116697-A1 Novel compounds GLAXOSMITHKLINE LLC 2004-06-17 — — US claimed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 — — EP claimed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 — — WO 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-20080033170-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2008-02-07 — — 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
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 (6 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-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.