SCHEMBL13633122

SCHEMBL13633122

Cc1cnc2nc1Nc1ccc(NC(=O)NCCN3CCCC3=O)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.45
JAK2 O60674 2/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 7/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CCNA2 P20248 1/20 0.36
JAK1 P23458 1/20 0.36
CDK2 P24941 1/20 0.36
TYK2 P29597 1/20 0.36
FLT3 P36888 1/20 0.36
JAK3 P52333 1/20 0.36
CCNA1 P78396 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4356683 0.91 ALK (0.54) ALKJAK2TSHRKMT2ARAB9A
SCHEMBL13633120 0.89 ALK (0.53) ALKJAK2KMT2AJAK1CDK2
SCHEMBL13633196 0.89 ALK (0.53) ALKJAK2KMT2AJAK1CDK2
Trifluoroacetic Acid SCHEMBL4361571 0.87 ALK (0.50) ALKJAK2TSHRKMT2ARAB9A
SCHEMBL13633034 0.87 ALK (0.46) ALKJAK2KMT2AJAK1CDK2
SCHEMBL13634075 0.86 JAK2 (0.49) ALKJAK2KMT2ACCNA2JAK1
SCHEMBL13633183 0.85 ALK (0.42) ALKJAK2JAK1TYK2FLT3
SCHEMBL13634077 0.84 ALK (0.46) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633117 0.82 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632966 0.81 ALK (0.43) ALKJAK2ALDH1A1

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 1/4885TSHR 1918/4885

“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.