SCHEMBL2480533

SCHEMBL2480533

O=C1COc2ccc(Cl)c(NC(=O)C(F)(F)F)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
CHUK O15111 1/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAOB P27338 4/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.30
MAOA P21397 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2479220 0.85 PDK1 (0.36) PDK1PDK2PDK3PDK4CHUK
SCHEMBL1179119 0.69 PDK1 (0.67) PDK1PDK2PDK3PDK4MEN1
SCHEMBL8229840 0.66 PDK1 (0.38) PDK1PDK2PDK3PDK4CHUK
SCHEMBL15569990 0.64 PDK1 (0.55) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL8226389 0.64 PDK1 (0.36) PDK1PDK2PDK3PDK4CHUK
SCHEMBL9780105 0.62 TSHR (0.40) MAPTKDM4EMAOBMAOAGAA
SCHEMBL3588732 0.61 MAPT (0.62) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL26623674 0.61 PDK1 (0.44) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6432206 0.61 PDK1 (0.41) PDK1PDK2PDK3PDK4CHUK
SCHEMBL3221540 0.61 PDK1 (0.51) PDK1PDK2PDK3PDK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (4 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-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PDK1 755/4885PDK2 925/4885PDK3 1143/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A PDK1 755/4885PDK2 925/4885PDK3 1143/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PDK1 755/4885PDK2 925/4885PDK3 1143/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PDK1 755/4885PDK2 925/4885PDK3 1143/4885

“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.