SCHEMBL13633247

SCHEMBL13633247

Cc1cnc2nc1Nc1ccc(NC(=O)C[C@@H]3CCN(C(=O)c4cnoc4C)C3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
ALK Q9UM73 3/20 0.33
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CHRNA4 P43681 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
SCHEMBL1076235 0.94 ALK (0.39) JAK2PIK3CDPIK3CAALKJAK1
SCHEMBL1074236 0.94 ALK (0.39) JAK2PIK3CDPIK3CAALKJAK1
Trifluoroacetic Acid SCHEMBL4352218 0.90 ALK (0.37) JAK2ALKJAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4355877 0.90 ALK (0.37) JAK2ALKJAK1TYK2JAK3
SCHEMBL4359105 0.90 ALK (0.40) JAK2PIK3CDPIK3CAALKJAK1
SCHEMBL13634073 0.89 JAK2 (0.34) JAK2PIK3CDALKJAK1TYK2
SCHEMBL13632945 0.89 NAMPT (0.35) JAK2PIK3CDALKJAK1TYK2
SCHEMBL13633107 0.89 ALK (0.36) JAK2ALKJAK1TYK2JAK3
SCHEMBL13633015 0.87 ALK (0.36) JAK2ALKJAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356867 0.86 ALK (0.37) JAK2ALKJAK1TYK2JAK3

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 1/4885PIK3CD 56/4885PIK3CA 72/4885

“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.