SCHEMBL13633016

SCHEMBL13633016

Cc1cc(C(=O)N2CCC(CCC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(C)c(n3)N4)CC2)no1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALK Q9UM73 3/20 0.33
JAK2 O60674 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
NAMPT P43490 1/20 0.32
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GPR6 P46095 1/20 0.31

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
SCHEMBL4356523 0.94 ALK (0.40) ALDH1A1MAPTALKJAK2KMT2A
SCHEMBL4354836 0.93 ALK (0.34) ALDH1A1ALKJAK2KMT2ANPC1
SCHEMBL13634073 0.91 JAK2 (0.34) MAPTALKJAK2KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4363186 0.91 ALK (0.37) ALDH1A1MAPTALKJAK2KMT2A
Trifluoroacetic Acid SCHEMBL4362506 0.91 EPHX2 (0.32) ALKJAK2JAK1TYK2JAK3
SCHEMBL4359660 0.88 ALK (0.48) MAPTALKJAK2KMT2AJAK1
SCHEMBL4357697 0.88 ALK (0.41) ALKJAK2KMT2ARAB9AJAK1
SCHEMBL13633091 0.87 MAPT (0.37) ALDH1A1MAPTALKJAK2KMT2A
SCHEMBL13634149 0.87 MAPT (0.37) ALDH1A1MAPTALKJAK2KMT2A
SCHEMBL13632998 0.87 GPR6 (0.38) ALDH1A1MAPTALKJAK2KMT2A

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 2511/4885MAPT 3239/4885ALK 3/4885

“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.