SCHEMBL689882

SCHEMBL689882

CCN(CC)C1CCN(Cc2cc(C(C)(C)C)cc(NC(=O)c3cc4cccc(CN5CCN(C(=O)[C@@H]6CCCN6C)CC5)c4n3C)c2OC)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.36
SSTR5 P35346 1/20 0.34
BRAF P15056 2/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
DHODH Q02127 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR2 P41597 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
RAB9A P51151 1/20 0.30
LYN P07948 1/20 0.30
MAPK9 P45984 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
SCHEMBL689514 0.97 ACKR3 (0.38) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL690797 0.92 ACKR3 (0.38) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL691256 0.92 MEN1 (0.36) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL689558 0.91 ACKR3 (0.34) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL690473 0.90 ACKR3 (0.39) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL690428 0.90 ACKR3 (0.37) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL690121 0.89 ACKR3 (0.40) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL689961 0.89 ACKR3 (0.37) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL690908 0.88 ACKR3 (0.35) ACKR3SSTR5BRAFKDM4ETSHR
SCHEMBL689370 0.87 ACKR3 (0.37) ACKR3SSTR5KDM4ETSHRDHODH

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 985/4885SSTR5 703/4885BRAF 1770/4885

“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.