SCHEMBL689830

SCHEMBL689830

COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
LYN P07948 2/20 0.35
MAPK9 P45984 2/20 0.35
EPHX2 P34913 1/20 0.34
MAPK14 Q16539 5/20 0.34
ACKR3 P25106 3/20 0.34
SCARB1 Q8WTV0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
DRD4 P21917 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
EPHA2 P29317 1/20 0.32
EPHA3 P29320 1/20 0.32
AKT1 P31749 1/20 0.32
MEN1 O00255 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
SCHEMBL690848 0.94 DHODH (0.35) DHODHLYNMAPK9EPHX2MAPK14
SCHEMBL690729 0.93 DHODH (0.35) DHODHLYNMAPK9EPHX2MAPK14
SCHEMBL689461 0.91 DHODH (0.35) DHODHLYNMAPK9EPHX2MAPK14
SCHEMBL689789 0.91 MAPK14 (0.44) LYNMAPK9MAPK14SCARB1ABL1
SCHEMBL695463 0.91 MAPK14 (0.44) LYNMAPK9MAPK14SCARB1ABL1
SCHEMBL689318 0.91 LYN (0.38) DHODHLYNMAPK9MAPK14ACKR3
SCHEMBL689932 0.90 MAPK14 (0.43) LYNMAPK9MAPK14SCARB1ABL1
SCHEMBL690321 0.90 LYN (0.37) DHODHLYNMAPK9EPHX2MAPK14
SCHEMBL690775 0.90 MAPK14 (0.43) LYNMAPK9MAPK14SCARB1ABL1
SCHEMBL690544 0.87 MAPK14 (0.45) LYNMAPK9MAPK14SCARB1ABL1

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 DHODH 3745/4885LYN 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.