SCHEMBL4451349

SCHEMBL4451349

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CC[S+]([O-])CC3)nc2)c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.81
ABL1 P00519 2/20 0.60
RAF1 P04049 2/20 0.60
LYN P07948 2/20 0.60
MAPK9 P45984 2/20 0.60
EGFR P00533 1/20 0.60
BRAF P15056 1/20 0.60
EPHA2 P29317 1/20 0.60
EPHA3 P29320 1/20 0.60
AKT1 P31749 1/20 0.60
SRC P12931 3/20 0.51
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GSK3A P49840 6/20 0.40

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
SCHEMBL13527349 0.91 MAPK14 (0.85) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081824 0.90 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4094336 0.90 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087848 0.89 MAPK14 (0.83) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092378 0.89 MAPK14 (1.00) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6051674 0.89 MAPK14 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4085718 0.87 MAPK14 (0.80) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4093357 0.87 MAPK14 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4093506 0.87 MAPK14 (0.78) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092951 0.86 MAPK14 (0.77) MAPK14ABL1RAF1LYNMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211575-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-01 US claimed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
EP-1707205-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-10-04 EP disclosed
EP-1690854-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO disclosed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
EP-1534282-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-06-01 EP disclosed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
EP-1165516-B1 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2004-10-06 EP disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 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-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 MAPK14 74/4885ABL1 1152/4885RAF1 300/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885ABL1 719/4885RAF1 464/4885

“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.