SCHEMBL13633110

SCHEMBL13633110

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(c4cccc(F)n4)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.38
JAK2 O60674 2/20 0.35
DEGS1 O15121 3/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SMO Q99835 1/20 0.31
ABL1 P00519 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
SCHEMBL1075332 0.93 ALK (0.45) ALKJAK2DEGS1JAK1TYK2
SCHEMBL13633111 0.89 ALK (0.36) ALKJAK2DEGS1JAK1TYK2
Trifluoroacetic Acid SCHEMBL4364914 0.89 ALK (0.42) ALKJAK2DEGS1JAK1TYK2
SCHEMBL13632997 0.89 ALK (0.36) ALKJAK2DEGS1JAK1TYK2
SCHEMBL13634061 0.88 ALK (0.35) ALKJAK2DEGS1JAK1TYK2
SCHEMBL13633169 0.87 ALK (0.37) ALKJAK2DEGS1JAK1TYK2
SCHEMBL13634063 0.87 ALK (0.38) ALKJAK2DEGS1JAK1TYK2
SCHEMBL1073966 0.86 ALK (0.46) ALKJAK2DEGS1JAK1TYK2
SCHEMBL13633161 0.85 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633017 0.85 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 3/4885JAK2 1/4885DEGS1 1905/4885

“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.