SCHEMBL13633181

SCHEMBL13633181

CNC(=O)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(C)c(n1)N2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
JAK1 P23458 4/20 0.44
JAK3 P52333 4/20 0.44
TYK2 P29597 3/20 0.44
ALK Q9UM73 10/20 0.40
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
MAP4K1 Q92918 2/20 0.31
ABL1 P00519 1/20 0.31
GCK P35557 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
SCHEMBL1075946 0.91 JAK2 (0.53) JAK2JAK1JAK3TYK2ALK
SCHEMBL13633117 0.90 ALK (0.48) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4366133 0.85 JAK2 (0.48) JAK2JAK1JAK3TYK2ALK
SCHEMBL13634064 0.85 MAPK1 (0.38) JAK2JAK1JAK3TYK2ALK
SCHEMBL13633054 0.84 GAA (0.43) JAK2JAK1JAK3TYK2
SCHEMBL13632964 0.83 JAK2 (0.38) JAK2JAK1JAK3TYK2ALK
SCHEMBL13632989 0.82 ALK (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075467 0.82 JAK2 (0.53) JAK2JAK1JAK3TYK2ALK
SCHEMBL13633017 0.82 ALK (0.36) JAK2JAK1JAK3TYK2ALK
SCHEMBL4361701 0.81 ALK (0.61) JAK2JAK1JAK3TYK2ALK

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 2/4885JAK3 4/4885

“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.