SCHEMBL4471367

SCHEMBL4471367

O=c1ccc2c(-c3ccc(F)cc3)nc(NC(CO)CO)nc2n1-c1c(F)cc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.47
MAPK14 Q16539 5/20 0.40
MAPK11 Q15759 4/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
KCNH2 Q12809 1/20 0.34
FPR2 P25090 1/20 0.33
RPS6KA4 O75676 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1E P49674 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MAPK10 P53779 1/20 0.33
NLK Q9UBE8 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 2/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 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
SCHEMBL4463178 0.89 MAPK14 (0.46) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL4467184 0.86 MAPK14 (0.41) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3223925 0.85 SCN9A (0.42) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3216468 0.85 MAPK14 (0.41) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3224340 0.85 SCN9A (0.45) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL13952137 0.84 SCN9A (0.41) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3223282 0.84 SCN9A (0.41) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3213210 0.83 SCN9A (0.40) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3221461 0.82 SCN9A (0.39) SCN9AMAPK14MAPK11MAPK13MAPK12
SCHEMBL3215878 0.82 SCN9A (0.46) SCN9AMAPK14MAPK11MAPK13MAPK12

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 14 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
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP claimed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 EP claimed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 WO 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 SCN9A 4126/4885MAPK14 42/4885MAPK11 94/4885

“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.