SCHEMBL13634104

SCHEMBL13634104

COc1ccccc1NC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(C)c(n2)N3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
P2RY12 Q9H244 1/20 0.38
SMO Q99835 3/20 0.37
FAAH O00519 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 2/20 0.36
JAK2 O60674 1/20 0.35
ALK Q9UM73 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 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
SCHEMBL4370125 0.94 ALK (0.42) TP53LMNAMAPTHTTP2RY12
SCHEMBL13632990 0.91 JAK2 (0.37) TP53LMNAMAPTHTTP2RY12
SCHEMBL13632938 0.90 CCR3 (0.39) LMNAMAPTHTTP2RY12FAAH
Trifluoroacetic Acid SCHEMBL4365045 0.90 ALK (0.39) TP53LMNAMAPTHTTP2RY12
SCHEMBL13633017 0.89 ALK (0.36) THRBJAK2ALK
SCHEMBL1075538 0.88 ALK (0.43) MAPTP2RY12FAAHTHRBMAPK1
SCHEMBL13634058 0.88 NAMPT (0.37) LMNAALK
SCHEMBL13633248 0.87 TACR2 (0.36) MAPTFAAHTHRBKDM4ETRPV1
SCHEMBL13632995 0.87 MEN1 (0.38) MAPTP2RY12TDP1MAPK1HSD17B10
SCHEMBL13633113 0.86 ALK (0.39) JAK2ALKALDH1A1TSHR

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 TP53 805/4885LMNA 4393/4885MAPT 3239/4885

“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.