SCHEMBL3411277

SCHEMBL3411277

CN1CCN(Cc2ccccc2NC(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.54
TP53 P04637 1/20 0.54
MDM2 Q00987 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
SUCNR1 Q9BXA5 2/20 0.51
F10 P00742 1/20 0.48
HDAC1 Q13547 1/20 0.48
KDR P35968 1/20 0.47
EGFR P00533 5/20 0.46
BRAF P15056 5/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL3406781 0.81 KDM4E (0.76) MDM4TP53MDM2SMN1; SMN2KDM4E
SCHEMBL4040332 0.76 HTR1A (0.53) SMN1; SMN2SUCNR1HDAC1KMT2AMEN1
SCHEMBL3404952 0.76 MAPK14 (0.56) SUCNR1EGFRBRAF
SCHEMBL20614129 0.75 RORC (0.54) F10EGFRBRAF
SCHEMBL3405684 0.74 ALDH1A1 (0.47) SMN1; SMN2SUCNR1EGFRBRAFKMT2A
SCHEMBL3411136 0.74 MAPK14 (0.59) SUCNR1EGFRBRAF
SCHEMBL16755298 0.74 KIT (0.65) SUCNR1KDREGFRBRAF
SCHEMBL3409454 0.74 BRAF (0.50) EGFRBRAF
SCHEMBL3411140 0.74 BRAF (0.46) SUCNR1EGFRBRAF
SCHEMBL3787980 0.73 MDM4 (0.70) MDM4TP53MDM2SMN1; SMN2KDM4E

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 MDM4 4481/4885TP53 3047/4885MDM2 4569/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MDM4 4407/4885TP53 3130/4885MDM2 4568/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 MDM4 4481/4885TP53 3047/4885MDM2 4569/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MDM4 4407/4885TP53 3130/4885MDM2 4568/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 MDM4 4481/4885TP53 3047/4885MDM2 4569/4885

“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.