SCHEMBL3411136

SCHEMBL3411136

Cc1ccc(C(=O)NCC2CC2)cc1-c1ccc(C(=O)Nc2ccccc2CN2CCN(C)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.59
CYP2C9 P11712 2/20 0.59
MAPK11 Q15759 1/20 0.46
BRAF P15056 10/20 0.45
EGFR P00533 9/20 0.45
ACHE P22303 1/20 0.45
GSK3B P49841 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.45

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
SCHEMBL3404952 0.89 MAPK14 (0.56) MAPK14CYP2C9BRAFEGFRSUCNR1
SCHEMBL3411140 0.85 BRAF (0.46) BRAFEGFRSUCNR1
SCHEMBL3405684 0.84 ALDH1A1 (0.47) MAPK14BRAFEGFRSUCNR1
SCHEMBL12013952 0.83 MAPK14 (0.45) MAPK14BRAFEGFRSUCNR1
SCHEMBL3409868 0.81 SUCNR1 (0.44) BRAFEGFRSUCNR1
SCHEMBL3404864 0.81 MAPK14 (0.87) MAPK14CYP2C9MAPK11
SCHEMBL3409454 0.80 BRAF (0.50) BRAFEGFR
SCHEMBL3405490 0.80 BRAF (0.49) BRAFEGFR
SCHEMBL5106114 0.76 MAPK14 (0.57) MAPK14CYP2C9MAPK11BRAFSUCNR1
SCHEMBL3407562 0.75 MAPK14 (0.78) MAPK14CYP2C9MAPK11

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 28 patents — showing the first 20. 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
US-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
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
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US 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-7514456-B2 Nicotinamide derivatives useful as p38 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514456-B2 Nicotinamide derivatives useful as p38 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US 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
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 MAPK14 10/4885CYP2C9 2948/4885MAPK11 27/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MAPK14 12/4885CYP2C9 2539/4885MAPK11 29/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 MAPK14 10/4885CYP2C9 2948/4885MAPK11 27/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MAPK14 12/4885CYP2C9 2539/4885MAPK11 29/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 MAPK14 10/4885CYP2C9 2948/4885MAPK11 27/4885

“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.