Sugi Predict

Sugi Predict / Compounds / SCHEMBL4473445

SCHEMBL4473445

SCHEMBL4473445

O=c1ccc2c(-c3ccc(F)cc3F)nc(NC(CO)CO)nc2n1-c1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.45
▸ MAPK11 Q15759 11/20 0.45
▸ MAPK13 O15264 9/20 0.45
▸ MAPK12 P53778 9/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SCN9A Q15858 1/20 0.35
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ NLK Q9UBE8 2/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ACVR2B Q13705 1/20 0.33
▸ MYLK Q15746 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ RPS6KA4 O75676 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CSNK1E P49674 1/20 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
SCHEMBL4470456 0.90 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4463178 0.86 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1059197 0.86 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1064417 0.85 SCN9A (0.37) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL3223931 0.84 SCN9A (0.41) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4470201 0.83 MAPK14 (0.39) MAPK14MAPK11MAPK13MAPK12KCNH2
Dilmapimod SCHEMBL29528002 0.82 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12KCNH2
Dilmapimod SCHEMBL1065268 0.82 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12KCNH2
Dilmapimod SCHEMBL29379709 0.82 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL3223046 0.82 SCN9A (0.41) MAPK14MAPK11MAPK13MAPK12KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US claimed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 — — EP claimed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 — — US claimed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 — — EP disclosed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 — — US disclosed
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP disclosed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 — — EP disclosed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 — — 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 (1 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-20060293348-A1 Novel compounds MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK11 94/4885MAPK13 43/4885

“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.