SCHEMBL4068301

SCHEMBL4068301

COc1cc(Br)c2c(c1)N(c1ccccc1Cl)C(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
GAA P10253 1/20 0.42
XDH P47989 2/20 0.40
POLB P06746 2/20 0.40
EGFR P00533 2/20 0.39
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6670174 0.87 MAPK14 (0.54) MAPK14KMT2AMEN1GAAPOLB
SCHEMBL4286311 0.86 MAPK14 (0.59) MAPK14KMT2AMEN1HCRTR1GAA
SCHEMBL6667920 0.76 MAPK14 (0.71) MAPK14
SCHEMBL3786268 0.73 MGLL (0.61) KMT2AMEN1POLBMGLLSMN1; SMN2
SCHEMBL6668342 0.72 MAPK14 (0.73) MAPK14
SCHEMBL4295118 0.72 MAPK14 (0.39) MAPK14KMT2AMEN1MGLLSMN1; SMN2
SCHEMBL6668515 0.72 GAA (0.45) MAPK14KMT2AGAAPOLBSMN1; SMN2
SCHEMBL6668069 0.70 MAPK14 (0.52) MAPK14KMT2A
SCHEMBL6669483 0.69 MAPK14 (0.62) MAPK14
SCHEMBL6670053 0.69 MAPK14 (0.74) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US disclosed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 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 (2 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 MAPK14 32/4885KMT2A 3531/4885MEN1 4788/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 MAPK14 32/4885KMT2A 3531/4885MEN1 4788/4885

“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.