SCHEMBL690039

SCHEMBL690039

COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1[S+](C)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.36
DHODH Q02127 2/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SSTR5 P35346 1/20 0.33
LYN P07948 1/20 0.32
MAPK9 P45984 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RORC P51449 2/20 0.32
MAPK14 Q16539 1/20 0.32
FAAH O00519 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL688681 0.92 ACKR3 (0.37) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL1302235 0.91 ACKR3 (0.37) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL12103752 0.91 ACKR3 (0.37) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL689590 0.90 ACKR3 (0.38) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL689756 0.90 EPHX2 (0.34) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL12103743 0.90 ACKR3 (0.37) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL690121 0.90 ACKR3 (0.40) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL12103772 0.90 ACKR3 (0.37) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL690473 0.90 ACKR3 (0.39) ACKR3DHODHEPHX2KDM4EALDH1A1
SCHEMBL690275 0.90 ACKR3 (0.37) ACKR3DHODHEPHX2KDM4EALDH1A1

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.