SCHEMBL13633017

SCHEMBL13633017

CNC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(C)c(n2)N3)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CDK9 P50750 2/20 0.31
THRB P10828 2/20 0.31
STK26 Q9P289 1/20 0.30
STK24 Q9Y6E0 1/20 0.30

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
SCHEMBL13633015 0.96 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075794 0.93 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632988 0.91 EPHX2 (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632931 0.91 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632935 0.91 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634058 0.90 NAMPT (0.37) ALK
SCHEMBL13633107 0.90 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632990 0.90 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632995 0.90 MEN1 (0.38) ALKJAK2FNTAFNTB
SCHEMBL13633161 0.89 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3

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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885JAK2 1/4885JAK1 2/4885

“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.