SCHEMBL13633123

SCHEMBL13633123

Cc1cnc2nc1Nc1ccc(NC(=O)N[C@H]3CCN(C)C3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.48
JAK2 O60674 1/20 0.42
MAPK1 P28482 5/20 0.39
AXL P30530 3/20 0.37
FLT3 P36888 3/20 0.37
TYRO3 Q06418 3/20 0.37
MERTK Q12866 3/20 0.37
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
PAK1 Q13153 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
SCHEMBL4366602 0.92 ALK (0.59) ALKJAK2MAPK1
SCHEMBL13633028 0.90 ALK (0.43) ALKJAK2AXLFLT3TYRO3
SCHEMBL13632968 0.89 ALK (0.42) ALKJAK2
SCHEMBL13633046 0.88 ALK (0.44) ALKJAK2
SCHEMBL13633060 0.88 ALK (0.41) ALKJAK2CCNA2CDK2
Trifluoroacetic Acid SCHEMBL4358301 0.87 ALK (0.54) ALKJAK2MAPK1
SCHEMBL13634089 0.86 KDM5A (0.40) ALKJAK2
SCHEMBL13633084 0.85 ALK (0.41) ALKJAK2MAPK1AXLFLT3
SCHEMBL13632895 0.85 ALK (0.39) ALKJAK2AXLFLT3TYRO3
SCHEMBL13633062 0.85 FASN (0.43) ALKCCNA2CDK2

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 1/4885MAPK1 55/4885

“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.