SCHEMBL4091665

SCHEMBL4091665

CC(C)(C)c1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.76
BRAF P15056 3/20 0.68
ABL1 P00519 2/20 0.68
RAF1 P04049 2/20 0.68
LYN P07948 2/20 0.68
MAPK9 P45984 2/20 0.68
EGFR P00533 1/20 0.68
EPHA2 P29317 1/20 0.68
EPHA3 P29320 1/20 0.68
AKT1 P31749 1/20 0.68
SRC P12931 1/20 0.65
ERN1 O75460 8/20 0.46
TRPV4 Q9HBA0 1/20 0.45
DDR2 Q16832 1/20 0.44

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
SCHEMBL27482304 0.93 MAPK14 (0.67) MAPK14BRAFABL1RAF1LYN
SCHEMBL4096998 0.92 MAPK14 (0.65) MAPK14BRAFABL1RAF1LYN
SCHEMBL4096768 0.91 MAPK14 (0.77) MAPK14BRAFABL1RAF1LYN
SCHEMBL4085454 0.89 MAPK14 (0.82) MAPK14BRAFABL1RAF1LYN
SCHEMBL4096948 0.89 ABL1 (0.68) MAPK14BRAFABL1RAF1LYN
SCHEMBL4098327 0.89 MAPK14 (0.81) MAPK14BRAFABL1RAF1LYN
SCHEMBL4091873 0.89 MAPK14 (0.81) MAPK14BRAFABL1RAF1LYN
SCHEMBL4091678 0.89 MAPK14 (0.81) MAPK14BRAFABL1RAF1LYN
SCHEMBL4093523 0.88 MAPK14 (0.64) MAPK14BRAFABL1RAF1LYN
SCHEMBL4091569 0.88 MAPK14 (0.59) MAPK14BRAFABL1RAF1LYN

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US claimed
EP-1690854-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-08-16 EP claimed
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-07 US claimed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP claimed
EP-1165516-B1 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2004-10-06 EP claimed
US-6660732-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-09 US claimed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US claimed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 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
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
US-7276491-B2 Anticoagulant and fibrinolytic therapy using p38 MAP kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-20070155724-A1 Methods of Treating Cytokine Mediated Diseases MOSS NEIL 2007-07-05 US disclosed
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
US-20030060455-A1 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-03-27 US disclosed
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 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 (8 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-20070155724-A1 Methods of Treating Cytokine Mediated Diseases TNF, IL2, IL1B MAPK14 922/4885BRAF 2434/4885ABL1 2843/4885
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension PTGIS, PTGS1, MAPKAPK5 MAPK14 55/4885BRAF 2544/4885ABL1 2764/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK14 74/4885BRAF 425/4885ABL1 1152/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885BRAF 3611/4885ABL1 3659/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885BRAF 1286/4885ABL1 719/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885BRAF 2434/4885ABL1 2843/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885BRAF 3611/4885ABL1 3659/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885BRAF 1286/4885ABL1 719/4885

“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.