Sugi Predict

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SCHEMBL1065963

SCHEMBL1065963

CSc1nc(Nc2c(C)cccc2C)c(C=O)c(-c2ccc(F)cc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.45
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ SRC P12931 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ CTSA P10619 2/20 0.31

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
SCHEMBL1064841 0.93 HSP90AB1 (0.44) HSP90AB1MAPK1HTTCA1CA2
SCHEMBL1065995 0.88 HSP90AB1 (0.44) HSP90AB1MAPK1HTTCA1CA2
SCHEMBL1063918 0.85 HSP90AB1 (0.43) HSP90AB1MAPK1HTTCA1CA2
SCHEMBL1065172 0.83 HSP90AB1 (0.45) HSP90AB1ABL1
SCHEMBL1062889 0.83 HSP90AB1 (0.47) HSP90AB1MAPK1HTTCA1CA2
SCHEMBL4467853 0.81 CA1 (0.37) HSP90AB1CA1CA2CA7RXFP1
SCHEMBL1063854 0.81 HSP90AB1 (0.43) HSP90AB1LMNAABL1
SCHEMBL1061521 0.80 HSP90AB1 (0.44) HSP90AB1MAPK1HTT
SCHEMBL4177081 0.79 HSP90AB1 (0.40) HSP90AB1MAPK1HTTRXFP1MAPT
SCHEMBL4177087 0.79 HSP90AB1 (0.40) HSP90AB1MAPK1HTTRXFP1MAPT

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 17 patents. 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 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-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
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 (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 HSP90AB1 466/4885MAPK1 17/4885HTT 4796/4885
US-20080033170-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB HSP90AB1 466/4885MAPK1 17/4885HTT 4796/4885
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 HSP90AB1 302/4885MAPK1 15/4885HTT 4663/4885
US-20080032969-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB HSP90AB1 466/4885MAPK1 17/4885HTT 4796/4885
US-20110009625-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, CDC42BPB HSP90AB1 466/4885MAPK1 17/4885HTT 4796/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 HSP90AB1 451/4885MAPK1 12/4885HTT 4851/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB HSP90AB1 466/4885MAPK1 17/4885HTT 4796/4885

“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.