SCHEMBL4622913

SCHEMBL4622913

COc1c(F)ccc(NC(=O)C(C)(C)C)c1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
PDK1 Q15118 3/20 0.36
PDK2 Q15119 3/20 0.36
PDK3 Q15120 3/20 0.36
PDK4 Q16654 3/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CETP P11597 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
MEP1B Q16820 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
PDE11A Q9HCR9 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL31355572 1.00 KDM4E (0.37) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1285563 0.82 PDK1 (0.38) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1980340 0.78 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL30223299 0.78 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL3128204 0.76 LMNA (0.52) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL24073391 0.75 LMNA (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL30223290 0.75 LMNA (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL16998375 0.71 TRPV1 (0.52) PDK1PDK2PDK3PDK4LMNA
SCHEMBL29574062 0.69 KDM4E (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL23012458 0.69 KDM4E (0.39) KDM4EPDK1PDK2PDK3PDK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1945616-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 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 (1 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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B KDM4E 1376/4885PDK1 1129/4885PDK2 801/4885

“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.