SCHEMBL1302109

SCHEMBL1302109

COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)CN5CCN(C(=O)OC(C)(C)C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
LYN P07948 2/20 0.39
MAPK9 P45984 2/20 0.39
BRAF P15056 8/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHA3 P29320 1/20 0.39
AKT1 P31749 1/20 0.39
SCARB1 Q8WTV0 3/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
ACKR3 P25106 1/20 0.37

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
SCHEMBL1301977 0.96 MAPK14 (0.47) MAPK14LYNMAPK9BRAFABL1
SCHEMBL1301952 0.93 MAPK14 (0.45) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689852 0.93 MAPK14 (0.46) MAPK14LYNMAPK9BRAFABL1
SCHEMBL690110 0.93 MAPK14 (0.46) MAPK14LYNMAPK9BRAFABL1
SCHEMBL13986441 0.92 MAPK14 (0.49) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689769 0.91 MAPK14 (0.44) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689588 0.91 MAPK14 (0.44) MAPK14LYNMAPK9BRAFABL1
SCHEMBL13986436 0.90 MAPK14 (0.47) MAPK14LYNMAPK9BRAFABL1
SCHEMBL690725 0.90 MAPK14 (0.43) MAPK14LYNMAPK9BRAFABL1
SCHEMBL3164561 0.89 MAPK14 (0.47) MAPK14LYNMAPK9BRAFABL1

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 19/4885LYN 853/4885MAPK9 49/4885

“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.