SCHEMBL3408404

SCHEMBL3408404

COc1ccc(NC(=O)c2ccc(-c3cc(C(=O)NN4NC=CS4)ccc3C)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.47
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
ABL1 P00519 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
MAPK14 Q16539 3/20 0.44
BRAF P15056 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KIT P10721 1/20 0.41
DDR1 Q08345 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3411129 0.78 RAB9A (0.61) P4HTMRAB9ANPC1ABL1TP53
SCHEMBL3408888 0.77 MAPK14 (0.73) P4HTMRAB9ANPC1ABL1TP53
SCHEMBL12013949 0.77 P4HTM (0.50) P4HTMRAB9ANPC1ABL1TP53
SCHEMBL3405640 0.75 MAPK14 (0.68) P4HTMMAPK14
SCHEMBL3409868 0.75 SUCNR1 (0.44) BRAFKIT
SCHEMBL3408858 0.74 MAPK14 (0.51) MAPK14KMT2AMEN1
SCHEMBL3409280 0.73 P4HTM (0.53) P4HTMRAB9ANPC1ABL1TP53
SCHEMBL3405644 0.73 MCHR1 (0.53) P4HTMRAB9ANPC1ABL1TP53
SCHEMBL3959184 0.70 RAF1 (0.61) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL5934199 0.69 SMN1; SMN2 (0.56) RAB9ANPC1TP53SMN1; SMN2MAPT

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 16 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
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 P4HTM 2149/4885RAB9A 1389/4885NPC1 1358/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 P4HTM 1940/4885RAB9A 1582/4885NPC1 1409/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 P4HTM 2149/4885RAB9A 1389/4885NPC1 1358/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 P4HTM 1940/4885RAB9A 1582/4885NPC1 1409/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 P4HTM 2149/4885RAB9A 1389/4885NPC1 1358/4885

“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.