SCHEMBL13633169

SCHEMBL13633169

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(c4ccncc4)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.37
DEGS1 O15121 3/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
F10 P00742 5/20 0.33
CHRM1 P11229 1/20 0.32
CHRM4 P08173 1/20 0.32
STK26 Q9P289 1/20 0.31
STK24 Q9Y6E0 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
BDKRB1 P46663 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL13634061 0.93 ALK (0.35) ALKDEGS1JAK2JAK1TYK2
SCHEMBL1076501 0.92 ALK (0.44) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13634062 0.91 ALK (0.37) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13634063 0.90 ALK (0.38) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13633111 0.90 ALK (0.36) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13633162 0.89 ALK (0.37) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13632997 0.89 ALK (0.36) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13633161 0.88 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074001 0.88 ALK (0.43) ALKDEGS1JAK2JAK1TYK2
SCHEMBL13634048 0.88 ALK (0.36) 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 3/4885DEGS1 1905/4885JAK2 1/4885

“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.