SCHEMBL13634113

SCHEMBL13634113

Cc1cnc2nc1Nc1ccc(NC(=O)Nc3c(C)cccc3Cl)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.49
JAK2 O60674 11/20 0.39
JAK1 P23458 10/20 0.39
JAK3 P52333 10/20 0.39
TYK2 P29597 9/20 0.39
PYGL P06737 2/20 0.37
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1073104 0.95 ALK (0.56) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633029 0.94 ALK (0.48) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4360446 0.90 ALK (0.51) ALKJAK2JAK1JAK3TYK2
SCHEMBL4357041 0.90 ALK (0.58) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633117 0.87 ALK (0.48) ALKJAK2JAK1JAK3TYK2
SCHEMBL1074539 0.86 ALK (0.57) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633118 0.86 ALK (0.47) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633047 0.85 ALK (0.45) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633048 0.85 ALK (0.45) ALKJAK2NPSR1
SCHEMBL13634077 0.84 ALK (0.46) ALKJAK2JAK1JAK3TYK2

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.