SCHEMBL4081981

SCHEMBL4081981

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(Oc3cccnc3)nc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.58
GALR3 O60755 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
GSK3A P49840 11/20 0.49
SRC P12931 5/20 0.47
SYK P43405 4/20 0.47
GCK P35557 1/20 0.44
RAF1 P04049 2/20 0.43
HSP90AA1 P07900 1/20 0.43
NTRK1 P04629 1/20 0.43
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
LYN P07948 1/20 0.42
BRAF P15056 1/20 0.42
EPHA2 P29317 1/20 0.42
EPHA3 P29320 1/20 0.42
AKT1 P31749 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL4081496 0.84 MAPK14 (0.58) MAPK14GSK3ASRCSYK
SCHEMBL4091536 0.80 MAPK14 (0.64) MAPK14GSK3ASRCSYKRAF1
SCHEMBL4087240 0.80 MAPK14 (0.73) MAPK14MAPK1GSK3ASRCRAF1
SCHEMBL4082250 0.79 MAPK14 (0.61) MAPK14GSK3ASRCSYKRAF1
SCHEMBL6674058 0.79 MAPK14 (0.60) MAPK14MAPK1GSK3ASRCSYK
SCHEMBL5250477 0.78 MAPK14 (0.52) MAPK14GSK3ASRCSYKBRAF
SCHEMBL6642300 0.78 MAPK14 (0.59) MAPK14MAPK1GSK3ARAF1HSP90AA1
SCHEMBL6299768 0.77 MAPK14 (0.59) MAPK14GSK3ASRCSYKBRAF
SCHEMBL5373599 0.77 MAPK14 (0.58) MAPK14GSK3ASRCSYKRAF1
SCHEMBL4096307 0.77 MAPK14 (0.66) MAPK14MAPK1GSK3ASRCRAF1

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-20070155724-A1 Methods of Treating Cytokine Mediated Diseases MOSS NEIL 2007-07-05 US claimed
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US claimed
US-7211575-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-01 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
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-20030060455-A1 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-03-27 US claimed
CN-1349509-A Compounds as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMA (US) 2002-05-15 CN 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-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

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 922/4885GALR3 1088/4885MAPK1 1480/4885
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension PTGIS, PTGS1, MAPKAPK5 MAPK14 55/4885GALR3 1118/4885MAPK1 13/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK14 74/4885GALR3 273/4885MAPK1 79/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885GALR3 1350/4885MAPK1 2567/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 MAPK14 44/4885GALR3 427/4885MAPK1 8/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885GALR3 1088/4885MAPK1 1480/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885GALR3 1350/4885MAPK1 2567/4885

“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.