SCHEMBL13633993

SCHEMBL13633993

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(S(=O)(=O)c4ccco4)CC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.41
JAK2 O60674 5/20 0.39
JAK1 P23458 4/20 0.32
TYK2 P29597 4/20 0.32
JAK3 P52333 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32
LMNA P02545 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.30
KCNT1 Q5JUK3 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
SCHEMBL13632946 0.93 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13622655 0.93 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633105 0.90 ALK (0.43) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356040 0.89 ALK (0.45) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633106 0.88 ALK (0.41) ALKJAK2L3MBTL1PTK2PTK2B
SCHEMBL13633020 0.88 ALK (0.41) ALKJAK2L3MBTL1PTK2PTK2B
SCHEMBL13633024 0.87 ALK (0.41) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075426 0.87 ALK (0.41) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634050 0.86 ALK (0.41) ALKJAK2LMNAALDH1A1MEN1
SCHEMBL13633112 0.85 ALK (0.40) ALKJAK2L3MBTL1LMNAALDH1A1

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.