SCHEMBL13634016

SCHEMBL13634016

Cc1cnc2nc1Nc1ccc(NC(=O)Cc3ccco3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.43
ALK Q9UM73 9/20 0.42
JAK1 P23458 11/20 0.36
JAK3 P52333 11/20 0.36
TYK2 P29597 10/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ROCK2 O75116 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1075611 0.90 ALK (0.53) JAK2ALKJAK1JAK3TYK2
SCHEMBL13633177 0.90 GAA (0.44) JAK2ALKNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4359946 0.86 ALK (0.48) JAK2ALKJAK1JAK3TYK2
SCHEMBL13633235 0.85 ALK (0.44) JAK2ALKNPC1MAPTRAB9A
SCHEMBL13633079 0.85 ALK (0.44) JAK2ALKJAK1JAK3TYK2
SCHEMBL13633131 0.85 ALK (0.43) JAK2ALKJAK1JAK3TYK2
SCHEMBL13633061 0.84 ALK (0.42) JAK2ALKJAK1JAK3TYK2
SCHEMBL13634102 0.84 JAK2 (0.41) JAK2ALKNPC1MAPTNPSR1
SCHEMBL13633233 0.83 MAPT (0.46) JAK2ALKMAPT
SCHEMBL13633080 0.83 ALK (0.42) JAK2ALKJAK1JAK3TYK2

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 JAK2 1/4885ALK 3/4885JAK1 2/4885

“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.