SCHEMBL13634112

SCHEMBL13634112

COc1cccnc1N1CCN(C(=O)COc2ccc3cc2CCc2cncc(c2)Nc2ncc(C)c(n2)N3)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.41
JAK2 O60674 2/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SMO Q99835 1/20 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
SCHEMBL4359575 0.93 ALK (0.49) ALKJAK2LMNAKDM4EALDH1A1
SCHEMBL13633021 0.90 LMNA (0.49) ALKJAK2LMNAKDM4EALDH1A1
SCHEMBL13633095 0.90 KDM4E (0.45) ALKJAK2LMNAKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4361598 0.89 ALK (0.46) ALKJAK2LMNAKDM4EALDH1A1
SCHEMBL13633256 0.84 THRB (0.44) ALKJAK2LMNAKDM4EALDH1A1
SCHEMBL13633097 0.84 ALK (0.43) ALKJAK2LMNAKDM4EMEN1
SCHEMBL4354300 0.83 ALK (0.54) ALKLMNAALDH1A1MEN1KMT2A
SCHEMBL1075498 0.82 ALK (0.48) ALKJAK2KDM4EALDH1A1MEN1
SCHEMBL4358095 0.82 ALK (0.54) ALKJAK2LMNAKDM4EALDH1A1
SCHEMBL13633257 0.81 ALK (0.41) ALKJAK2LMNAKDM4EMEN1

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 1/4885LMNA 4393/4885

“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.