SCHEMBL13622752

SCHEMBL13622752

CC(C)(C)OC(=O)Nc1cncc(CCc2cc(N)ccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.40
NAMPT P43490 2/20 0.39
MAPKAPK2 P49137 7/20 0.37
MAP4K4 O95819 1/20 0.36
MAPK14 Q16539 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1076027 0.95 CYP17A1 (0.36) CYP17A1NAMPTMAPKAPK2MAP4K4MAPK14
SCHEMBL12209869 0.88 CYP17A1 (0.42) CYP17A1NAMPTMAPKAPK2MAP4K4MAPK14
SCHEMBL13622510 0.85 AURKA (0.43) CYP17A1AURKARPS6KB1TLR7KCNQ4
SCHEMBL12209863 0.85 EGLN2 (0.41) CYP17A1NAMPTKCNQ4KCNQ5
SCHEMBL1025177 0.84 KCNQ4 (0.36) CYP17A1MAPKAPK2KCNQ4KCNQ5
SCHEMBL2520952 0.84 CYP17A1 (0.38) CYP17A1NAMPTMAPK14TOP2ATOP2B
SCHEMBL13623058 0.84 NAMPT (0.43) CYP17A1NAMPTMAPKAPK2MAP4K4TOP2A
SCHEMBL2520961 0.80 EGLN2 (0.38) CYP17A1NAMPTMAPKAPK2KCNQ4KCNQ5
SCHEMBL1072098 0.80 TLR7 (0.42) AURKARPS6KB1TLR7HDAC1
SCHEMBL13622748 0.80 STK17B (0.43) CYP17A1NAMPTMAPKAPK2

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 CYP17A1 3568/4885NAMPT 3611/4885MAPKAPK2 107/4885

“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.