SCHEMBL690763

SCHEMBL690763

COc1c(CS(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.37
LYN P07948 2/20 0.35
MAPK9 P45984 2/20 0.35
GSK3A P49840 1/20 0.35
DHODH Q02127 1/20 0.35
MAPK14 Q16539 6/20 0.34
SRC P12931 2/20 0.34
SYK P43405 2/20 0.34
EPHX2 P34913 1/20 0.33
BRAF P15056 3/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
EPHA2 P29317 1/20 0.33
EPHA3 P29320 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL690209 0.92 ACKR3 (0.36) ACKR3LYNMAPK9DHODHMAPK14
SCHEMBL690473 0.92 ACKR3 (0.39) ACKR3LYNMAPK9GSK3ADHODH
SCHEMBL690121 0.92 ACKR3 (0.40) ACKR3LYNMAPK9GSK3ADHODH
SCHEMBL695463 0.91 MAPK14 (0.44) LYNMAPK9MAPK14BRAFABL1
SCHEMBL689789 0.91 MAPK14 (0.44) LYNMAPK9MAPK14BRAFABL1
SCHEMBL12103743 0.91 ACKR3 (0.37) ACKR3LYNMAPK9GSK3ADHODH
SCHEMBL689757 0.90 ACKR3 (0.35) ACKR3LYNMAPK9GSK3ADHODH
SCHEMBL690468 0.90 LYN (0.39) ACKR3LYNMAPK9DHODHMAPK14
SCHEMBL689961 0.90 ACKR3 (0.37) ACKR3LYNMAPK9DHODHMAPK14
Hydrochloric Acid SCHEMBL1303081 0.90 ACKR3 (0.37) ACKR3LYNMAPK9GSK3ADHODH

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 ACKR3 985/4885LYN 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.