SCHEMBL13633233

SCHEMBL13633233

Cc1nc(CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(C)c(n2)N3)cs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALK Q9UM73 4/20 0.42
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 2/20 0.37
SLC12A2 P55011 1/20 0.37
SLC12A5 Q9H2X9 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL1075687 0.92 ALK (0.52) MAPTALKJAK2
Trifluoroacetic Acid SCHEMBL4365061 0.88 ALK (0.48) MAPTALKJAK2SLC12A2SLC12A5
SCHEMBL13633131 0.87 ALK (0.43) ALKJAK2
SCHEMBL13633235 0.86 ALK (0.44) MAPTALKJAK2ALDH1A1TP53
SCHEMBL13633236 0.86 ALK (0.42) ALKJAK2NTRK1
SCHEMBL13633080 0.86 ALK (0.42) ALKJAK2NTRK1
SCHEMBL13633078 0.85 ALK (0.40) MAPTALKJAK2TP53SMN1; SMN2
SCHEMBL13633079 0.85 ALK (0.44) ALKJAK2
SCHEMBL13633061 0.83 ALK (0.42) ALKJAK2
SCHEMBL13634016 0.83 JAK2 (0.43) MAPTALKJAK2

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 MAPT 3239/4885ALK 3/4885JAK2 1/4885

“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.