SCHEMBL13633109

SCHEMBL13633109

Cc1cnc2nc1Nc1ccc(NC(=O)CCC3CCNCC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

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
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ALK Q9UM73 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
STK26 Q9P289 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPC1 O15118 4/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL13622611 0.92 JAK2 (0.44) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL13634045 0.89 JAK2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633094 0.87 JAK2 (0.39) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL13633016 0.85 ALDH1A1 (0.34) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632989 0.84 ALK (0.39) JAK2JAK1TYK2JAK3ALK
SCHEMBL1073959 0.84 ALK (0.51) JAK2JAK1TYK2JAK3ALK
SCHEMBL1073047 0.83 JAK2 (0.45) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633246 0.83 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL13634064 0.82 MAPK1 (0.38) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632935 0.81 ALK (0.36) JAK2JAK1TYK2JAK3ITGB3

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.