Sugi Predict

Sugi Predict / Compounds / SCHEMBL1303496

SCHEMBL1303496

SCHEMBL1303496

COc1c(NC(=O)c2cc3cccc(CN4CCNCC4)c3n2C)cc(CC(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.37
▸ KDM1A O60341 5/20 0.35
▸ MAOA P21397 1/20 0.35
▸ RCOR1 Q9UKL0 2/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ SIRT1 Q96EB6 1/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ EPHA3 P29320 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ MAPK9 P45984 1/20 0.33

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
SCHEMBL689626 0.89 MAPK14 (0.35) MAPK14GSK3ACHRM3MCHR1ABL1
SCHEMBL1303413 0.88 MAPK14 (0.49) MAPK14GSK3AABL1EGFRRAF1
Hydrochloric Acid SCHEMBL1302646 0.87 MAPK14 (0.49) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL690729 0.86 DHODH (0.35) MAPK14FBP1MCHR1LYNMAPK9
SCHEMBL1302721 0.85 MAPK14 (0.47) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL1301449 0.83 MAPK14 (0.42) MAPK14FBP1LYNMAPK9
SCHEMBL689769 0.83 MAPK14 (0.44) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL13452180 0.81 MAPK14 (0.35) MAPK14ABL1EGFRRAF1LYN
SCHEMBL13452308 0.80 MAPK14 (0.47) MAPK14ABL1EGFRRAF1LYN
SCHEMBL13986430 0.79 MAPK14 (0.54) MAPK14GSK3AABL1EGFRRAF1

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 19/4885KDM1A 933/4885MAOA 167/4885

“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.