SCHEMBL13622747

SCHEMBL13622747

CC(C)(C)OC(=O)Nc1cncc(C#Cc2cc(N)ccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
MAP4K4 O95819 1/20 0.36
CYP17A1 P05093 4/20 0.35
MAPKAPK2 P49137 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KDR P35968 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
BACE1 P56817 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
PRMT1 Q99873 1/20 0.33
PDGFRB P09619 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
SCHEMBL1025849 0.95 BRD9 (0.36) NAMPTMAP4K4CYP17A1MAPKAPK2PTGDR2
SCHEMBL12209862 0.86 EGLN2 (0.43) NAMPTCYP17A1EGLN2
SCHEMBL4348212 0.86 CYP17A1 (0.33) NAMPTMAP4K4CYP17A1KDRPIK3CD
SCHEMBL1024644 0.85 KCNQ4 (0.35) NAMPTMAP4K4CYP17A1PTGDR2KDR
SCHEMBL13623077 0.85 RXFP1 (0.42) CYP17A1KDRPDGFRB
SCHEMBL13622742 0.85 PKM (0.41) NAMPT
SCHEMBL13623057 0.84 NAMPT (0.43) NAMPTMAP4K4CYP17A1MAPKAPK2KDR
SCHEMBL2524019 0.82 EGLN2 (0.39) NAMPTPTGDR2KDREGLN2BRD9
SCHEMBL1022924 0.80 GAA (0.40)
SCHEMBL1022925 0.80 GAA (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NAMPT 3611/4885MAP4K4 120/4885CYP17A1 3568/4885

“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.