SCHEMBL4092556

SCHEMBL4092556

CNC(=O)c1c(NC(=O)Nc2ccc(C3=CC(=O)N(c4ccncc4)CC3)c3ccccc23)cc(C(C)(C)C)n1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.42
RAF1 P04049 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
TNF P01375 1/20 0.32
HCK P08631 1/20 0.32
MAPK12 P53778 1/20 0.32
ERN1 O75460 2/20 0.31
BRAF P15056 6/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4081051 0.91 MAPK14 (0.54) MAPK14RAF1HTR1AHTR1DHTR1B
SCHEMBL4092703 0.77 RAF1 (0.49) MAPK14RAF1MAPK12
SCHEMBL4092124 0.76 MAPK14 (0.58) MAPK14RAF1TNFHCKMAPK12
SCHEMBL4098838 0.74 MAPK14 (0.56) MAPK14RAF1TNFHCKMAPK12
SCHEMBL4092785 0.72 MAPK14 (0.41) MAPK14RAF1TNFHCKMAPK12
SCHEMBL4092856 0.69 MAPK14 (0.65) MAPK14RAF1TNFHCKMAPK12
SCHEMBL3242693 0.60 MAPK14 (1.00) MAPK14RAF1MAPK12MAPT
SCHEMBL6161581 0.58 MAPK14 (0.66) MAPK14RAF1TNFHCKMAPK12
SCHEMBL7244712 0.57 MAPK14 (0.61) MAPK14RAF1TNFHCKMAPK12
SCHEMBL6162858 0.57 MAPK14 (0.56) MAPK14RAF1TNFHCKMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20070099832-A1 Combination Therapy with p38 MAP Kinase Inhibitors and their Pharmaceutical Compositions SIMIANER STEFAN 2007-05-03 US disclosed
US-7211575-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1534282-B1 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2006-12-27 EP disclosed
US-6656933-B2 Novel compounds which inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-02 US disclosed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US 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
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 (9 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 922/4885RAF1 2509/4885HTR1A 4185/4885
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension PTGIS, PTGS1, MAPKAPK5 MAPK14 55/4885RAF1 663/4885HTR1A 3223/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK14 74/4885RAF1 300/4885HTR1A 1142/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885RAF1 2736/4885HTR1A 2179/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885RAF1 464/4885HTR1A 1666/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885RAF1 2509/4885HTR1A 4185/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885RAF1 2736/4885HTR1A 2179/4885
US-20070099832-A1 Combination Therapy with p38 MAP Kinase Inhibitors and their Pharmaceutical Compositions MAPKAPK2, MAP3K1, MAP3K2 MAPK14 39/4885RAF1 104/4885HTR1A 3936/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885RAF1 464/4885HTR1A 1666/4885

“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.