SCHEMBL13633112

SCHEMBL13633112

COc1cccc(S(=O)(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(C)c(n3)N4)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.40
JAK2 O60674 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
CHRM5 P08912 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.35
USP5 P45974 1/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13634059 0.94 ALK (0.36) ALKJAK2L3MBTL1MAPTCHRM5
SCHEMBL13634050 0.94 ALK (0.41) ALKJAK2MAPTTHRBPKM
SCHEMBL13622663 0.94 ALK (0.48) ALKL3MBTL1MAPTCHRM5THRB
Trifluoroacetic Acid SCHEMBL4361782 0.90 ALK (0.45) ALKL3MBTL1CHRM5SMN1; SMN2RORC
SCHEMBL4363845 0.89 ALK (0.42) ALKJAK2MAPTCHRM5THRB
SCHEMBL13633105 0.88 ALK (0.43) ALKJAK2L3MBTL1SMN1; SMN2RORC
SCHEMBL13622667 0.88 ALK (0.49) ALKPKMSMN1; SMN2RORCALDH1A1
SCHEMBL13633020 0.87 ALK (0.41) ALKJAK2L3MBTL1SMN1; SMN2LMNA
SCHEMBL13633106 0.87 ALK (0.41) ALKJAK2L3MBTL1SMN1; SMN2RORC
SCHEMBL13633993 0.85 ALK (0.41) ALKJAK2L3MBTL1MEN1KMT2A

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 1/4885L3MBTL1 3054/4885

“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.