SCHEMBL690749

SCHEMBL690749

CCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 7/20 0.41
LYN P07948 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK14 Q16539 4/20 0.36
BRAF P15056 4/20 0.35
ACKR3 P25106 3/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHA3 P29320 1/20 0.34
AKT1 P31749 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL689789 0.92 MAPK14 (0.44) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL695463 0.92 MAPK14 (0.44) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690468 0.91 LYN (0.39) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690439 0.91 SCARB1 (0.40) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL689932 0.90 MAPK14 (0.43) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690775 0.90 MAPK14 (0.43) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL691289 0.90 ACKR3 (0.36) LYNMAPK9MAPK14ACKR3DHODH
SCHEMBL689370 0.90 ACKR3 (0.37) LYNMAPK9MAPK14ACKR3DHODH
SCHEMBL689590 0.90 ACKR3 (0.38) LYNMAPK9MAPK14BRAFACKR3
SCHEMBL690209 0.89 ACKR3 (0.36) SCARB1LYNMAPK9MAPK14BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-B1 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 INT (DE) 2012-02-29 EP claimed
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 claimed
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 SCARB1 3668/4885LYN 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.