SCHEMBL4085778

SCHEMBL4085778

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CC4CCOC4)c(O)c3)c3ccccc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
TNF P01375 6/20 0.58
ABL1 P00519 2/20 0.57
RAF1 P04049 2/20 0.57
LYN P07948 2/20 0.57
SRC P12931 2/20 0.57
MAPK9 P45984 2/20 0.57
MAPK12 P53778 5/20 0.49
MAPK13 O15264 3/20 0.49
MAPK11 Q15759 3/20 0.49
DDR2 Q16832 2/20 0.49
HCK P08631 2/20 0.49
CIT O14578 1/20 0.49
MUSK O15146 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL4081491 0.88 ABL1 (0.69) MAPK14TNFABL1RAF1LYN
SCHEMBL4086518 0.84 MAPK14 (0.56) MAPK14TNFABL1RAF1LYN
SCHEMBL4092505 0.83 MAPK14 (0.54) MAPK14TNFABL1RAF1LYN
SCHEMBL4085896 0.83 MAPK14 (0.59) MAPK14TNFABL1RAF1LYN
SCHEMBL4092399 0.83 ABL1 (0.62) MAPK14TNFABL1RAF1LYN
SCHEMBL4086687 0.82 MAPK14 (0.53) MAPK14TNFABL1RAF1LYN
SCHEMBL4081199 0.81 ABL1 (0.64) MAPK14TNFABL1RAF1LYN
SCHEMBL7240470 0.81 SRC (0.60) MAPK14TNFABL1RAF1LYN
SCHEMBL4088163 0.81 MAPK14 (0.56) MAPK14TNFABL1RAF1LYN
SCHEMBL4095048 0.80 ABL1 (0.75) MAPK14TNFABL1RAF1LYN

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 51 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
EP-1658060-A2 METHODS OF TREATING COPD AND PULMONARY HYPERTENSION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-24 EP claimed
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-07 US claimed
WO-2005018624-A2 METHODS OF TREATING COPD AND PULMONARY HYPERTENSION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-03 WO claimed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP claimed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US claimed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 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
WO-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO 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
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 922/4885TNF 1/4885ABL1 2843/4885
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension PTGIS, PTGS1, MAPKAPK5 MAPK14 55/4885TNF 2384/4885ABL1 2764/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK14 74/4885TNF 745/4885ABL1 1152/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885TNF 2/4885ABL1 3659/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885TNF 707/4885ABL1 719/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885TNF 1/4885ABL1 2843/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885TNF 2/4885ABL1 3659/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885TNF 707/4885ABL1 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.