SCHEMBL1301449

SCHEMBL1301449

COc1c(NC(=O)c2cc3cccc(Br)c3n2C)cc(CC(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.42
FBP1 P09467 2/20 0.37
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
LYN P07948 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
EDNRA P25101 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL691275 0.87 MAPK14 (0.40) MAPK14FBP1KMT2AALDH1A1MEN1
SCHEMBL1303140 0.85 MAPK14 (0.58) MAPK14LYNMAPK9
SCHEMBL1303496 0.83 MAPK14 (0.37) MAPK14FBP1LYNMAPK9
SCHEMBL690729 0.78 DHODH (0.35) MAPK14FBP1KMT2AALDH1A1MEN1
SCHEMBL13798002 0.75 MAPK14 (0.58) MAPK14LYNMAPK9
SCHEMBL1302956 0.75 MAPK14 (0.58) MAPK14LYNMAPK9
SCHEMBL1302236 0.75 MAPK14 (0.58) MAPK14LYNMAPK9
SCHEMBL13359214 0.74 MAPK14 (0.59) MAPK14LYNMAPK9
SCHEMBL13798005 0.74 MAPK14 (0.59) MAPK14LYNMAPK9
SCHEMBL689607 0.74 MAPK14 (0.55) MAPK14LYNMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US 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 (1 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-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 MAPK14 19/4885FBP1 3032/4885KMT2A 1609/4885

“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.