SCHEMBL1025849

SCHEMBL1025849

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.36
NAMPT P43490 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDR P35968 5/20 0.34
PDGFRB P09619 3/20 0.34
CYP17A1 P05093 2/20 0.33
PTPN11 Q06124 1/20 0.33
MAPKAPK2 P49137 4/20 0.33
MAP4K4 O95819 1/20 0.33
MAPT P10636 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
BACE1 P56817 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL13622747 0.95 NAMPT (0.39) BRD9NAMPTPTGDR2KDRPDGFRB
SCHEMBL2524019 0.87 EGLN2 (0.39) BRD9NAMPTPTGDR2KDRPDGFRB
SCHEMBL4334706 0.86 PTPN11 (0.40) BRD9KDRPDGFRBPTPN11ABL1
SCHEMBL1022925 0.85 GAA (0.40) MAPT
SCHEMBL1022924 0.85 GAA (0.40) MAPT
SCHEMBL1024644 0.84 KCNQ4 (0.35) BRD9NAMPTPTGDR2KDRCYP17A1
SCHEMBL4348212 0.83 CYP17A1 (0.33) BRD9NAMPTKDRCYP17A1MAP4K4
SCHEMBL12209862 0.82 EGLN2 (0.43) NAMPTCYP17A1PTPN11
SCHEMBL13623077 0.80 RXFP1 (0.42) KDRPDGFRBCYP17A1PTPN11
SCHEMBL13622742 0.80 PKM (0.41) NAMPTMAPT

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP 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 BRD9 659/4885NAMPT 3611/4885PTGDR2 3581/4885

“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.