SCHEMBL3402865

SCHEMBL3402865

COc1cccc(CNC(=O)c2ccc(Cl)nc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ROCK1 Q13464 6/20 0.65
PRKACA P17612 2/20 0.65
PRKX P51817 2/20 0.65
PRKCQ Q04759 2/20 0.65
GRK5 P34947 1/20 0.65
ROCK2 O75116 6/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
GSK3A P49840 1/20 0.63
GSK3B P49841 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
AURKA O14965 1/20 0.57
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL1680889 0.87 L3MBTL1 (0.73) MMP13L3MBTL1ROCK1PRKACAPRKX
SCHEMBL13450237 0.86 MMP13 (0.67) MMP13ROCK1PRKACAPRKXPRKCQ
SCHEMBL3098294 0.85 MEN1 (0.77) MMP13L3MBTL1CYP3A4CYP2C9MEN1
SCHEMBL27841827 0.81 L3MBTL1 (0.76) MMP13L3MBTL1ROCK1ROCK2MEN1
SCHEMBL3820733 0.81 ROCK2 (0.76) MMP13ROCK1PRKACAPRKXPRKCQ
SCHEMBL4067449 0.81 L3MBTL1 (1.00) L3MBTL1ROCK1PRKACAPRKXROCK2
SCHEMBL9416645 0.81 MMP13 (0.94) MMP13ROCK1PRKACAPRKXPRKCQ
SCHEMBL31061610 0.81 MMP13 (1.00) MMP13ROCK1PRKACAPRKXPRKCQ
SCHEMBL5332068 0.81 MMP13 (1.00) MMP13ROCK1PRKACAPRKXPRKCQ
SCHEMBL16343160 0.81 L3MBTL1 (0.78) L3MBTL1ROCK1ROCK2LMNASMN1; SMN2

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-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 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 MMP13 1559/4885L3MBTL1 4018/4885ROCK1 881/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MMP13 1540/4885L3MBTL1 4031/4885ROCK1 820/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 MMP13 1559/4885L3MBTL1 4018/4885ROCK1 881/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MMP13 1540/4885L3MBTL1 4031/4885ROCK1 820/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 MMP13 1559/4885L3MBTL1 4018/4885ROCK1 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.