SCHEMBL13633161

SCHEMBL13633161

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(C(C)C)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ALK Q9UM73 5/20 0.36
F10 P00742 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DYRK1A Q13627 3/20 0.31
GSK3B P49841 2/20 0.31
NAMPT P43490 1/20 0.31
F2 P00734 1/20 0.31
STK26 Q9P289 1/20 0.30
STK24 Q9Y6E0 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MCHR1 Q99705 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
SCHEMBL1075288 0.93 ALK (0.45) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632988 0.92 EPHX2 (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632931 0.89 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13634048 0.89 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633017 0.89 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632935 0.88 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633169 0.88 ALK (0.37) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4360738 0.88 ALK (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633107 0.88 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632997 0.87 ALK (0.36) JAK2JAK1TYK2JAK3ALK

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 JAK2 1/4885JAK1 2/4885TYK2 16/4885

“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.