SCHEMBL1063010

SCHEMBL1063010

Cc1cc(F)ccc1-c1nc(N(C)S(C)(=O)=O)nc2c1ccc(=O)n2C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE6D O43924 1/20 0.37
NR1I2 O75469 1/20 0.37
PDE4D Q08499 1/20 0.37
AKT1 P31749 2/20 0.35
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RORC P51449 1/20 0.34
PTGS2 P35354 1/20 0.31
MAPK14 Q16539 5/20 0.31
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
PER2 O15055 2/20 0.30
CRY1 Q16526 2/20 0.30

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
SCHEMBL1059149 0.84 BRD4 (0.36) HMGCRALDH1A1NR1I2PDE4DRORC
SCHEMBL1062157 0.82 MAPK14 (0.46) PDE4DMAPK14MAPK13MAPK12MAPK11
SCHEMBL1067521 0.81 RORC (0.36) RORCPTGS2MAPK14MAPK13MAPK12
SCHEMBL1063029 0.79 HSP90AB1 (0.46) HMGCRALDH1A1NR1I2PDE4DRORC
SCHEMBL6911074 0.78 BRD4 (0.39) HMGCRRORCMAPK14MAPK13MAPK12
SCHEMBL12122428 0.74 CDK4 (0.34) RORCPTGS2MAPK14MAPK13MAPK12
SCHEMBL1065461 0.74 CDK4 (0.34) RORCPTGS2MAPK14MAPK13MAPK12
SCHEMBL1065266 0.74 MAPK14 (0.39) HMGCRRORCMAPK14MAPK11
SCHEMBL1059261 0.74 CDK5 (0.39) ALDH1A1RORC
SCHEMBL1064545 0.69 HSP90AB1 (0.43) RORCMAPK14MAPK13MAPK12MAPK11

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 37 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
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
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-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-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-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-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-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 (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-20110046109-A1 2,4,8-TRISUBSTITUTED-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE COMPOUNDS AND COMPOSITIONS FOR USE IN THERAPY MAPKAPK2, MAPK8, CREBBP HMGCR 4395/4885ALDH1A1 4185/4885CYP3A4 4740/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB HMGCR 4387/4885ALDH1A1 4362/4885CYP3A4 4783/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 HMGCR 4471/4885ALDH1A1 4298/4885CYP3A4 4613/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB HMGCR 4387/4885ALDH1A1 4362/4885CYP3A4 4783/4885

“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.