Sugi Predict

Sugi Predict / Compounds / SCHEMBL1065112

SCHEMBL1065112

SCHEMBL1065112

Cc1cc(F)ccc1-c1nc(NCCC#N)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.46
▸ MAPK13 O15264 7/20 0.46
▸ MAPK12 P53778 7/20 0.46
▸ MAPK11 Q15759 7/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ HSP90AB1 P08238 2/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ CYP1A2 P05177 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ CASP1 P29466 4/20 0.33
▸ CASP7 P55210 4/20 0.33
▸ USP2 O75604 4/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HBB P68871 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ HIF1A Q16665 2/20 0.33

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
SCHEMBL1064025 0.92 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066069 0.89 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1063681 0.89 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065696 0.89 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065206 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL10202440 0.87 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6327181 0.87 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4267559 0.86 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065452 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6335657 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2

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 40 patents — showing the first 20. 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
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-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 (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 MAPK14 56/4885MAPK13 80/4885MAPK12 90/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK13 43/4885MAPK12 85/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 MAPK14 22/4885MAPK13 25/4885MAPK12 60/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK13 43/4885MAPK12 85/4885

“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.