SCHEMBL13633235

SCHEMBL13633235

Cc1cnc2nc1Nc1ccc(NC(=O)Cc3cccs3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.44
JAK2 O60674 1/20 0.42
POLB P06746 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAPDH P04406 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL1074075 0.90 ALK (0.54) ALKJAK2
SCHEMBL13633079 0.87 ALK (0.44) ALKJAK2
SCHEMBL13633233 0.86 MAPT (0.46) ALKJAK2SMN1; SMN2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL4369349 0.86 ALK (0.49) ALKJAK2MEN1KMT2A
SCHEMBL13634016 0.85 JAK2 (0.43) ALKJAK2MAPTL3MBTL1RAB9A
SCHEMBL13633236 0.85 ALK (0.42) ALKJAK2CYP1A2CYP2C19
SCHEMBL13633080 0.85 ALK (0.42) ALKJAK2CYP1A2CYP2C19
SCHEMBL13633131 0.85 ALK (0.43) ALKJAK2PTK2B
SCHEMBL13633061 0.84 ALK (0.42) ALKJAK2CYP1A2
SCHEMBL13633078 0.84 ALK (0.40) ALKJAK2SMN1; SMN2MAPTCYP1A2

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 1/4885POLB 2346/4885

“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.