SCHEMBL690275

SCHEMBL690275

COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)C5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
DHODH Q02127 2/20 0.35
MAPK14 Q16539 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RORC P51449 2/20 0.34
SSTR5 P35346 1/20 0.34
FAAH O00519 1/20 0.34
GSK3A P49840 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
RAB9A P51151 1/20 0.33
LYN P07948 1/20 0.33
MAPK9 P45984 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
SCHEMBL12103772 1.00 ACKR3 (0.37) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL1302235 0.95 ACKR3 (0.37) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL12103752 0.95 ACKR3 (0.37) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL691285 0.94 ACKR3 (0.36) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL690018 0.94 ACKR3 (0.36) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL691171 0.94 ACKR3 (0.36) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL690523 0.93 ACKR3 (0.36) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL690164 0.93 ACKR3 (0.36) ACKR3KDM4EALDH1A1DHODHMAPK14
SCHEMBL689945 0.93 MAPK14 (0.43) ACKR3DHODHMAPK14SSTR5GSK3A
SCHEMBL689590 0.92 ACKR3 (0.38) ACKR3KDM4EALDH1A1DHODHMAPK14

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 2 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 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 985/4885KDM4E 2099/4885ALDH1A1 1231/4885

“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.