SCHEMBL4091842

SCHEMBL4091842

CCC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1OC

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.82
RAF1 P04049 2/20 0.82
LYN P07948 2/20 0.82
MAPK9 P45984 2/20 0.82
EGFR P00533 1/20 0.82
BRAF P15056 1/20 0.82
EPHA2 P29317 1/20 0.82
EPHA3 P29320 1/20 0.82
AKT1 P31749 1/20 0.82
MAPK14 Q16539 13/20 0.76
SRC P12931 11/20 0.60
GSK3A P49840 10/20 0.49
SYK P43405 10/20 0.46
DDR2 Q16832 1/20 0.44
CYP3A4 P08684 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
SCHEMBL4086488 0.93 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6609488 0.93 ABL1 (0.84) ABL1RAF1LYNMAPK9EGFR
SCHEMBL14376097 0.93 ABL1 (0.84) ABL1RAF1LYNMAPK9EGFR
SCHEMBL13941124 0.93 ABL1 (0.70) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4091655 0.93 ABL1 (0.84) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6053406 0.92 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6612361 0.91 ABL1 (0.80) ABL1RAF1LYNMAPK9EGFR
SCHEMBL6613374 0.91 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4081446 0.91 ABL1 (0.82) ABL1RAF1LYNMAPK9EGFR
SCHEMBL4456684 0.91 ABL1 (0.88) ABL1RAF1LYNMAPK9EGFR

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 76 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-1427412-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-06-16 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-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
JP-2002539198-A 2002-11-19 JP 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-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP claimed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
US-20100016449-A1 Formulations with Improved Bioavailability BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 US 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 ABL1 2843/4885RAF1 2509/4885LYN 2746/4885
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension PTGIS, PTGS1, MAPKAPK5 ABL1 2764/4885RAF1 663/4885LYN 3274/4885
US-20100016449-A1 Formulations with Improved Bioavailability ABCG2, SLC10A2, SI ABL1 4510/4885RAF1 4058/4885LYN 2991/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 ABL1 719/4885RAF1 464/4885LYN 852/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B ABL1 2843/4885RAF1 2509/4885LYN 2746/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO ABL1 3659/4885RAF1 2736/4885LYN 2351/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 ABL1 719/4885RAF1 464/4885LYN 852/4885

“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.