SCHEMBL13633121

SCHEMBL13633121

Cc1cnc2nc1Nc1ccc(NC(=O)NCCC3CCCN3C)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.43
JAK2 O60674 1/20 0.43
METAP2 P50579 2/20 0.42
LCK P06239 1/20 0.42
ADORA1 P30542 2/20 0.37
PDE4B Q07343 2/20 0.37
ADORA2A P29274 1/20 0.37
ACKR3 P25106 2/20 0.36
ADORA2B P29275 1/20 0.35
BRAF P15056 1/20 0.35
SLC2A1 P11166 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
BTK Q06187 1/20 0.34
CHRM3 P20309 1/20 0.34
POLR1A O95602 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL4366298 0.92 ALK (0.54) ALKJAK2METAP2LCKADORA1
Trifluoroacetic Acid SCHEMBL4359942 0.88 ALK (0.49) ALKJAK2METAP2LCKADORA1
SCHEMBL13633120 0.87 ALK (0.53) ALKJAK2METAP2
SCHEMBL13633196 0.86 ALK (0.53) ALKJAK2METAP2
SCHEMBL13633122 0.84 ALK (0.45) ALKJAK2
SCHEMBL13633034 0.84 ALK (0.46) ALKJAK2ADORA1PDE4BADORA2A
SCHEMBL13633058 0.83 ALK (0.42) ALKJAK2
SCHEMBL13633183 0.83 ALK (0.42) ALKJAK2
SCHEMBL13634077 0.83 ALK (0.46) ALKJAK2
SCHEMBL13633027 0.81 ALK (0.42) ALKJAK2

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 1/4885METAP2 4510/4885

“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.