SCHEMBL689361

SCHEMBL689361

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.36
DHODH Q02127 2/20 0.34
EPHX2 P34913 1/20 0.33
LYN P07948 1/20 0.32
MAPK9 P45984 1/20 0.32
SSTR5 P35346 1/20 0.32
MAPK14 Q16539 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
BRAF P15056 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GSK3A P49840 1/20 0.31
RORC P51449 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL690473 0.92 ACKR3 (0.39) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL690428 0.92 ACKR3 (0.37) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL689961 0.92 ACKR3 (0.37) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL690121 0.91 ACKR3 (0.40) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL690495 0.91 ACKR3 (0.34) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL690864 0.90 ACKR3 (0.37) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL690763 0.90 ACKR3 (0.37) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL690797 0.89 ACKR3 (0.38) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL691171 0.89 ACKR3 (0.36) ACKR3DHODHEPHX2LYNMAPK9
SCHEMBL689590 0.89 ACKR3 (0.38) ACKR3DHODHEPHX2LYNMAPK9

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 985/4885DHODH 3745/4885EPHX2 2277/4885

“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.