SCHEMBL5376221

SCHEMBL5376221

Cc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCNC(=O)C3C)nc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.55
BRAF P15056 5/20 0.48
ABL1 P00519 2/20 0.48
RAF1 P04049 2/20 0.48
LYN P07948 2/20 0.48
MAPK9 P45984 2/20 0.48
EGFR P00533 1/20 0.48
EPHA2 P29317 1/20 0.48
EPHA3 P29320 1/20 0.48
AKT1 P31749 1/20 0.48
SRC P12931 1/20 0.46
ERN1 O75460 7/20 0.35
TRPV1 Q8NER1 1/20 0.34
KMT2A Q03164 1/20 0.33
GSK3A P49840 2/20 0.33

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
SCHEMBL4091656 0.91 MAPK14 (0.69) MAPK14BRAFABL1RAF1LYN
SCHEMBL4081423 0.83 SRC (0.70) MAPK14BRAFABL1RAF1LYN
SCHEMBL4092906 0.82 SRC (0.62) MAPK14BRAFABL1RAF1LYN
SCHEMBL4091873 0.81 MAPK14 (0.81) MAPK14BRAFABL1RAF1LYN
SCHEMBL5380711 0.80 MAPK14 (0.56) MAPK14BRAFABL1RAF1LYN
SCHEMBL4088020 0.76 MAPK14 (0.75) MAPK14BRAFABL1RAF1LYN
SCHEMBL4085454 0.74 MAPK14 (0.82) MAPK14BRAFABL1RAF1LYN
SCHEMBL4087842 0.73 MAPK14 (0.79) MAPK14BRAFABL1RAF1LYN
SCHEMBL4096411 0.73 SRC (0.54) MAPK14BRAFABL1RAF1LYN
SCHEMBL4098327 0.73 MAPK14 (0.81) MAPK14BRAFABL1RAF1LYN

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 18 patents. 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 disclosed
US-7211575-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1690854-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
US-7026476-B2 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-11 US disclosed
US-7019006-B2 Modulating release of inflammatory cytokines by administering, e.g., a 1-(5-tert-butyl-2-methyl-phenyl)-3-(6-((3-methoxy-propyl)-methylaminopyridin-3-yl)phthalen-1-yl) urea or thiourea; treating a neutrophil-mediated disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
EP-1427412-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-06-16 EP disclosed
US-20040019038-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-01-29 US disclosed
EP-1381594-A1 UREA COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-6660732-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030225077-A1 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US 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-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
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
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 (6 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 922/4885BRAF 2434/4885ABL1 2843/4885
US-20030225077-A1 Intermediate arylamine compounds AHR, AADAC, NAT1 MAPK14 2681/4885BRAF 2563/4885ABL1 310/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885BRAF 3611/4885ABL1 3659/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885BRAF 2434/4885ABL1 2843/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885BRAF 3611/4885ABL1 3659/4885
US-20040019038-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885BRAF 3611/4885ABL1 3659/4885

“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.