SCHEMBL1259549

SCHEMBL1259549

CC(C)(C)N(C(=O)O)c1ccc(Oc2ccc(N)cn2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 6/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 1/20 0.39
KEAP1 Q14145 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
HSPB1 P04792 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BRCA1 P38398 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MET P08581 5/20 0.35
FLT3 P36888 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK3 P27361 1/20 0.32

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
SCHEMBL3509911 0.91 MEN1 (0.48) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL12469040 0.85 MEN1 (0.51) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL3510612 0.84 MEN1 (0.45) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL1260299 0.83 HSPB1 (0.60) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL1260304 0.83 HSPB1 (0.60) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL3510993 0.80 KMT2A (0.43) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL3512431 0.80 KDM4E (0.54) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL1259624 0.79 BRAF (0.36) MET
SCHEMBL1136863 0.78 MET (0.38) MET
SCHEMBL2453206 0.78 KDM4E (0.47) MEN1KMT2AKDM4EPOLBRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 MEN1 1116/4885KMT2A 650/4885KDM4E 947/4885

“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.