SCHEMBL5388339

SCHEMBL5388339

COc1ccc(C(F)(F)C(F)(F)F)cc1NC(=O)Nc1ccc(N2CCC(CN3CCOCC3)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.53
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
LMNA P02545 4/20 0.49
THRB P10828 1/20 0.49
BRAF P15056 1/20 0.46
GAA P10253 2/20 0.45
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAF1 P04049 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.41
TNF P01375 1/20 0.40

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
SCHEMBL4092545 0.92 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL5384351 0.86 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL4082137 0.81 THRB (0.50) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL6248487 0.80 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11THRB
SCHEMBL5619741 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL6249247 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11THRB
SCHEMBL4095891 0.75 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4081877 0.72 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5619149 0.72 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5618844 0.71 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11BRAF

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 19 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-1165516-B1 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2004-10-06 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 922/4885MAPK13 360/4885MAPK12 271/4885
US-20030225077-A1 Intermediate arylamine compounds AHR, AADAC, NAT1 MAPK14 2681/4885MAPK13 2965/4885MAPK12 2566/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885MAPK13 2477/4885MAPK12 2302/4885
US-20030060455-A1 Methods of treating cytokine mediated diseases TNF, IL2, IL1B MAPK14 922/4885MAPK13 360/4885MAPK12 271/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885MAPK13 2477/4885MAPK12 2302/4885
US-20040019038-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885MAPK13 2477/4885MAPK12 2302/4885

“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.