SCHEMBL4081496

SCHEMBL4081496

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(Nc3cccnc3)nc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.58
GSK3A P49840 12/20 0.55
SRC P12931 12/20 0.55
SYK P43405 11/20 0.55
AHR P35869 1/20 0.47

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
SCHEMBL4091536 0.85 MAPK14 (0.64) MAPK14GSK3ASRCSYK
SCHEMBL4081981 0.84 MAPK14 (0.58) MAPK14GSK3ASRCSYK
SCHEMBL4087240 0.80 MAPK14 (0.73) MAPK14GSK3ASRC
SCHEMBL4087607 0.80 MAPK14 (0.68) MAPK14GSK3ASRCSYK
SCHEMBL4082250 0.79 MAPK14 (0.61) MAPK14GSK3ASRCSYKAHR
SCHEMBL6674058 0.79 MAPK14 (0.60) MAPK14GSK3ASRCSYKAHR
SCHEMBL4087852 0.78 MAPK14 (0.58) MAPK14GSK3ASRCSYK
SCHEMBL4096307 0.77 MAPK14 (0.66) MAPK14GSK3ASRC
SCHEMBL6639189 0.77 MAPK14 (0.67) MAPK14GSK3A
SCHEMBL6667155 0.77 MAPK14 (0.51) MAPK14GSK3ASRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155724-A1 Methods of Treating Cytokine Mediated Diseases MOSS NEIL 2007-07-05 US claimed
US-7211575-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-01 US claimed
EP-1427412-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-06-16 EP claimed
US-20030060455-A1 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-03-27 US claimed
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO claimed
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
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
CN-1349509-A Compounds as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMA (US) 2002-05-15 CN 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 (7 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 922/4885GSK3A 2362/4885SRC 2244/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK14 74/4885GSK3A 258/4885SRC 1016/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885GSK3A 3763/4885SRC 2715/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885GSK3A 759/4885SRC 1828/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885GSK3A 2362/4885SRC 2244/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885GSK3A 3763/4885SRC 2715/4885
US-20070099832-A1 Combination Therapy with p38 MAP Kinase Inhibitors and their Pharmaceutical Compositions MAPKAPK2, MAP3K1, MAP3K2 MAPK14 39/4885GSK3A 245/4885SRC 287/4885

“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.