Sugi Predict

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SCHEMBL690301

SCHEMBL690301

COc1c(NC(=O)c2cc3cccc(CC4CCCN(C(=O)C5CCN(C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.46
▸ MAPK14 Q16539 7/20 0.45
▸ SRC P12931 4/20 0.43
▸ SYK P43405 4/20 0.43
▸ SCARB1 Q8WTV0 1/20 0.42
▸ GSK3A P49840 3/20 0.41
▸ LYN P07948 1/20 0.41
▸ MAPK9 P45984 1/20 0.41

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
SCHEMBL690831 0.92 MAPK14 (0.46) BRAFMAPK14SRCSYKSCARB1
SCHEMBL1302637 0.92 MAPK14 (0.46) BRAFMAPK14SRCSYKSCARB1
SCHEMBL689364 0.90 MAPK14 (0.45) BRAFMAPK14SRCSYKSCARB1
SCHEMBL690682 0.90 MAPK14 (0.47) BRAFMAPK14SRCSYKSCARB1
SCHEMBL691097 0.90 MAPK14 (0.47) BRAFMAPK14SRCSYKSCARB1
SCHEMBL1302310 0.90 MAPK14 (0.46) BRAFMAPK14SRCSYKSCARB1
SCHEMBL689703 0.89 MAPK14 (0.43) BRAFMAPK14SRCSYKSCARB1
SCHEMBL689711 0.88 MAPK14 (0.45) BRAFMAPK14SRCSYKSCARB1
SCHEMBL13452291 0.87 MAPK14 (0.49) BRAFMAPK14SRCSYKSCARB1
SCHEMBL689701 0.87 SCARB1 (0.45) BRAFMAPK14SCARB1LYNMAPK9

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 BRAF 1770/4885MAPK14 19/4885SRC 684/4885

“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.