SCHEMBL13633103

SCHEMBL13633103

Cc1cnc2nc1Nc1ccc(NC(=O)C3CCCN(C(=O)NC4CCCC4)C3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ALK Q9UM73 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
JAK2 O60674 1/20 0.40
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
DUSP22 Q9NRW4 2/20 0.35

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
SCHEMBL13632930 0.96 ALDH1A1 (0.46) ALDH1A1ALKTDP1JAK2KMT2A
SCHEMBL4363395 0.92 ALK (0.49) ALDH1A1ALKJAK2LMNAUSP2
SCHEMBL1076245 0.88 ALK (0.50) ALDH1A1ALKTDP1JAK2KMT2A
Trifluoroacetic Acid SCHEMBL4361561 0.88 ALK (0.46) ALDH1A1ALKJAK2LMNA
SCHEMBL13632936 0.86 ALK (0.40) ALKJAK2MAPTRAB9A
SCHEMBL13633046 0.85 ALK (0.44) ALKJAK2KMT2ATSHRRAB9A
Trifluoroacetic Acid SCHEMBL4359246 0.84 ALK (0.46) ALDH1A1ALKTDP1JAK2KMT2A
SCHEMBL4357322 0.84 ALK (0.51) ALDH1A1ALKTDP1JAK2KMT2A
SCHEMBL4364967 0.83 ALK (0.51) ALDH1A1ALKJAK2
SCHEMBL4362936 0.83 ALK (0.54) ALDH1A1ALKJAK2MAPT

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 ALDH1A1 2511/4885ALK 3/4885TDP1 1824/4885

“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.