SCHEMBL2515901

SCHEMBL2515901

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.35
FFAR1 O14842 1/20 0.35
KCNQ4 P56696 3/20 0.34
KCNQ5 Q9NR82 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
BRD9 Q9H8M2 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
RORC P51449 1/20 0.32
GRM5 P41594 2/20 0.32
CYP17A1 P05093 1/20 0.32
PTPN11 Q06124 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL1024644 0.89 KCNQ4 (0.35) KCNQ4KCNQ5PTGDR2BRD9GRM5
SCHEMBL1027082 0.85 PKM (0.37)
SCHEMBL1027080 0.85 PKM (0.37)
SCHEMBL12209862 0.84 EGLN2 (0.43) EGLN2RORCGRM5CYP17A1PTPN11
SCHEMBL2524019 0.84 EGLN2 (0.39) EGLN2FFAR1PTGDR2BRD9RORC
SCHEMBL2519448 0.80 KCNQ4 (0.37) EGLN2KCNQ4KCNQ5BRD9CTSL
SCHEMBL1026146 0.75 PTGES (0.38) FFAR1KCNQ4KCNQ5PTGDR2BRD9
SCHEMBL13622747 0.73 NAMPT (0.39) EGLN2PTGDR2BRD9CYP17A1
SCHEMBL1023858 0.73 PKM (0.40) FFAR1KCNQ4KCNQ5
SCHEMBL1023856 0.73 PKM (0.40) FFAR1KCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 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 (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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK EGLN2 2197/4885FFAR1 1611/4885KCNQ4 793/4885

“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.