Sugi Predict

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SCHEMBL1060754

SCHEMBL1060754

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ PIK3CA P42336 14/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ MTOR P42345 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 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
SCHEMBL1065733 0.82 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1065191 0.81 CDK4 (0.35) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1060752 0.81 MAPK13 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL10202438 0.81 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL10203610 0.81 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1066611 0.80 MAPK14 (0.48) —
SCHEMBL1065185 0.80 CDK4 (0.39) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1064226 0.80 HSP90AB1 (0.42) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL1064571 0.79 CCND1 (0.37) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL5113181 0.78 CDK4 (0.39) 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-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-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 (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.