SCHEMBL689243

SCHEMBL689243

Cn1ccc2cccc(CO)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
CDK4 P11802 7/20 0.44
CCND1 P24385 7/20 0.44
CCNE2 O96020 6/20 0.41
CCNE1 P24864 6/20 0.41
CDK2 P24941 6/20 0.41
PRKACA P17612 2/20 0.37
PRKACG P22612 2/20 0.37
PRKACB P22694 2/20 0.37
CAMK2B Q13554 2/20 0.37
CAMK2G Q13555 2/20 0.37
CAMK2D Q13557 2/20 0.37
CAMK2A Q9UQM7 2/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 2/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL11005480 0.82 CMA1 (0.48) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL3132206 0.81 CMA1 (0.44) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL3279187 0.81 CMA1 (0.44) CMA1CDK4CCND1CCNE2CCNE1
Hydrochloric Acid SCHEMBL26107888 0.79 CMA1 (0.43) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL10264882 0.79 CMA1 (0.43) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL3143493 0.78 CMA1 (0.45) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL31370531 0.78 CMA1 (0.42) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL27702857 0.78 CMA1 (0.42) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL4404344 0.78 CMA1 (0.42) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL1251799 0.78 IFNAR1 (0.45) CMA1CDK4CCND1CCNE2CCNE1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186818-B 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 2013-10-02 CN disclosed
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
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
CN-102186818-A 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 2011-09-14 CN 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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US 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
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
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (3 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 CMA1 304/4885CDK4 3080/4885CCND1 3375/4885
US-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 CMA1 2551/4885CDK4 2422/4885CCND1 3323/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 CMA1 2655/4885CDK4 3128/4885CCND1 3214/4885

“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.