SCHEMBL690283

SCHEMBL690283

COc1c(N)cc(C(C)C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 2/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CYP19A1 P11511 2/20 0.33
NQO2 P16083 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10334357 0.87 GAA (0.42) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL688879 0.79 ALDH1A1 (0.50) GAAALDH1A1ALOX12MAPTHDAC4
SCHEMBL689597 0.76 L3MBTL1 (0.38) ALDH1A1NPC1MAPTRAB9ACYP19A1
SCHEMBL9963467 0.75 CYP19A1 (0.35) GAAALDH1A1POLBNPC1CYP19A1
SCHEMBL16608098 0.74 ALDH1A1 (0.38) GAAALDH1A1POLBNPC1MAPT
SCHEMBL801586 0.73 LMNA (0.38) GAAALDH1A1POLBGFERHDAC4
SCHEMBL683553 0.73 ACHE (0.54) MAPTHDAC4HDAC8CYP3A4L3MBTL1
SCHEMBL14640958 0.73 GABRA1 (0.46) GAAPOLBGFERHDAC4HDAC8
SCHEMBL4621087 0.72 ACHE (0.52) GAAALDH1A1POLBNPC1MAPT
SCHEMBL15933604 0.72 ALDH1A1 (0.53) GAAALDH1A1MAPTCYP19A1NQO2

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 9 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
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
EP-2323980-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) 2011-05-25 EP disclosed
WO-2010026096-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) 2010-03-11 WO disclosed
EP-1881955-A1 BIS-AMINATION OF ARYL HALIDES Boehringer Ingelheim International GmbH (DE) 2008-01-30 EP disclosed
WO-2006124283-A1 BIS-AMINATION OF ARYL HALIDES BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-23 WO disclosed
US-20060258888-A1 Bis-Amination of Aryl Halides BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 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 (2 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 GAA 2578/4885ALDH1A1 1231/4885ALOX12 1621/4885
US-20060258888-A1 Bis-Amination of Aryl Halides ABL1, AOC2, AADAC GAA 1239/4885ALDH1A1 86/4885ALOX12 2968/4885

“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.