SCHEMBL13633162

SCHEMBL13633162

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(c4nccs4)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.37
HTT P42858 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HPGDS O60760 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC27A1 Q6PCB7 1/20 0.31
DEGS1 O15121 1/20 0.31
EPHX2 P34913 1/20 0.30
HPGD P15428 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL1073595 0.93 ALK (0.44) ALKHTTJAK2JAK1TYK2
SCHEMBL13633169 0.89 ALK (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL1073580 0.89 ALK (0.43) ALKHTTJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356285 0.88 ALK (0.40) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633111 0.87 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633022 0.87 TP53 (0.39) ALKJAK2ALDH1A1
SCHEMBL13632997 0.86 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633161 0.86 JAK2 (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634061 0.86 ALK (0.35) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634063 0.86 ALK (0.38) 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 3/4885HTT 2476/4885JAK2 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.