SCHEMBL3408303

SCHEMBL3408303

CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(Cl)nc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
ROCK2 O75116 3/20 0.58
ROCK1 Q13464 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK14 Q16539 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AURKB Q96GD4 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4636427 0.82 HPGDS (0.65) ROCK2ROCK1ALDH1A1MAPK14MEN1
SCHEMBL27841827 0.79 L3MBTL1 (0.76) L3MBTL1ROCK2ROCK1ALDH1A1NPC1
SCHEMBL14326938 0.78 MAPK14 (0.57) ROCK2ROCK1ALDH1A1MAPK14MEN1
SCHEMBL3402865 0.78 MMP13 (0.67) L3MBTL1ROCK2ROCK1ALDH1A1SMN1; SMN2
SCHEMBL4067449 0.78 L3MBTL1 (1.00) L3MBTL1ROCK2ROCK1NPC1RAB9A
SCHEMBL16343160 0.78 L3MBTL1 (0.78) L3MBTL1ROCK2ROCK1NPC1RAB9A
SCHEMBL6122391 0.75 PTPN1 (0.53) ROCK2ROCK1ALDH1A1MAPK14SMN1; SMN2
SCHEMBL3408812 0.75 MAPK14 (0.77) ROCK2ROCK1MAPK14CYP2C9
SCHEMBL3410654 0.75 MAPK14 (0.62) ROCK2ROCK1ALDH1A1MAPK14CYP2C9
SCHEMBL1680889 0.75 L3MBTL1 (0.73) L3MBTL1ROCK2ROCK1MAPK14NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
EP-2258687-A1 Nicotinamide derivates useful as P38 inhibitors Glaxosmithkline LLC (US) 2010-12-08 EP disclosed
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 2010-08-26 US disclosed
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-7709506-B2 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
US-7514456-B2 Nicotinamide derivatives useful as p38 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
CN-100369898-C Nicotinamide derivates useful as p38 inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-20 CN disclosed
EP-1864975-A2 Novel compounds SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
EP-1474395-B1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-10-17 EP disclosed
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors SMITHKLINE BEECHAM CORPORATION 2006-12-07 US disclosed
US-20060264479-A1 Nicotinamide Derivatives Useful as p38 Inhibitors SMITHKLINE BEECHAM CORPORATION 2006-11-23 US disclosed
US-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 US disclosed
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC 2005-08-11 US disclosed
CN-1633416-A Nicotinamide derivatives as p38 inhibitors SMITHKLINE BEECHAM CORP (US) 2005-06-29 CN disclosed
EP-1474395-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-10 EP disclosed
WO-2003068747-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 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 (5 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-20060264479-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 L3MBTL1 4018/4885ROCK2 1521/4885ROCK1 881/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 L3MBTL1 4031/4885ROCK2 1569/4885ROCK1 820/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 L3MBTL1 4018/4885ROCK2 1521/4885ROCK1 881/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 L3MBTL1 4031/4885ROCK2 1569/4885ROCK1 820/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 L3MBTL1 4018/4885ROCK2 1521/4885ROCK1 881/4885

“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.