SCHEMBL13633108

SCHEMBL13633108

Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(C)c(n3)N4)CC2)no1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
ALK Q9UM73 2/20 0.41
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.36
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
AKT1 P31749 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
SCHEMBL4361370 0.93 ALK (0.50) JAK2ALKALDH1A1KDM4EKMT2A
SCHEMBL4357170 0.89 ALK (0.40) JAK2ALKALDH1A1TSHRKMT2A
Trifluoroacetic Acid SCHEMBL4352702 0.89 ALK (0.46) JAK2ALKALDH1A1KDM4ETSHR
SCHEMBL13634103 0.87 ALK (0.41) JAK2ALKALDH1A1TSHRKMT2A
SCHEMBL4362001 0.86 ALK (0.42) JAK2ALKALDH1A1KDM4ETSHR
Trifluoroacetic Acid SCHEMBL1075811 0.85 ALK (0.37) JAK2ALKALDH1A1TSHRTHRB
SCHEMBL13632936 0.83 ALK (0.40) JAK2ALK
Trifluoroacetic Acid SCHEMBL4354180 0.82 ALK (0.39) JAK2ALKALDH1A1KDM4ETSHR
SCHEMBL4359814 0.82 ALK (0.49) JAK2ALK
SCHEMBL4370120 0.82 ALK (0.39) JAK2ALKALDH1A1TSHRKMT2A

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 3/4885ALDH1A1 2511/4885

“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.