SCHEMBL689945

SCHEMBL689945

COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1C(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
SSTR5 P35346 1/20 0.38
DRD4 P21917 3/20 0.37
GSK3A P49840 3/20 0.37
ACKR3 P25106 3/20 0.36
LYN P07948 1/20 0.35
MAPK9 P45984 1/20 0.35
SRC P12931 1/20 0.34
SYK P43405 1/20 0.34
SLC6A12 P48065 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
DHODH Q02127 1/20 0.34
TYK2 P29597 1/20 0.34
DRD3 P35462 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
SCHEMBL690018 0.93 ACKR3 (0.36) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL690275 0.93 ACKR3 (0.37) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL12103772 0.93 ACKR3 (0.37) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL691171 0.93 ACKR3 (0.36) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL1302235 0.93 ACKR3 (0.37) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL12103752 0.93 ACKR3 (0.37) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL690164 0.92 ACKR3 (0.36) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL691285 0.92 ACKR3 (0.36) MAPK14SSTR5GSK3AACKR3LYN
SCHEMBL690125 0.91 MAPK14 (0.42) MAPK14SSTR5DRD4GSK3AACKR3
SCHEMBL690523 0.91 ACKR3 (0.36) MAPK14SSTR5GSK3AACKR3LYN

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 MAPK14 19/4885SSTR5 703/4885DRD4 4085/4885

“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.