SCHEMBL2524019

SCHEMBL2524019

CC(C)(C)OC(=O)Nc1ccc(C#N)cc1C#Cc1cncc(NC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.39
FFAR1 O14842 2/20 0.37
KCNH2 Q12809 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
PTPN11 Q06124 1/20 0.35
GRM5 P41594 2/20 0.35
RORC P51449 3/20 0.34
NAMPT P43490 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 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
SCHEMBL12209862 0.95 EGLN2 (0.43) EGLN2KCNH2SCN10APDK1PDK2
SCHEMBL1025849 0.87 BRD9 (0.36) PTPN11NAMPTPTGDR2BRD9PDGFRB
SCHEMBL1022925 0.85 GAA (0.40)
SCHEMBL1022924 0.85 GAA (0.40)
SCHEMBL2515901 0.84 EGLN2 (0.35) EGLN2FFAR1PDK1PDK2PDK3
SCHEMBL13622747 0.82 NAMPT (0.39) EGLN2NAMPTPTGDR2BRD9PDGFRB
SCHEMBL1476179 0.80 PDK1 (0.46) EGLN2PDK1PDK2PDK3PDK4
SCHEMBL13622742 0.79 PKM (0.41) NAMPTSIRT2
SCHEMBL2520961 0.79 EGLN2 (0.38) EGLN2PDK1PDK2PDK3PDK4
SCHEMBL21605007 0.78 EGLN2 (0.47) EGLN2KCNH2SCN10APDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 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 (2 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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK EGLN2 2197/4885FFAR1 1611/4885KCNH2 644/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK EGLN2 2197/4885FFAR1 1611/4885KCNH2 644/4885

“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.