SCHEMBL949394

SCHEMBL949394

Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1CNC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
USP30 Q70CQ3 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
STS P08842 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL948603 0.82 KDM4E (0.45) KDM4EPKMUSP30GPR119LMNA
SCHEMBL616004 0.77 STS (0.60) KDM4EPKMGPR119LMNATHRB
SCHEMBL948957 0.75 KDM4E (0.48) KDM4EPKMGPR119STSMEN1
SCHEMBL14433205 0.74 GPR119 (0.45) KDM4EPKMGPR119THRBSTS
SCHEMBL20267975 0.73 STS (0.55) KDM4EPKMUSP30GPR119LMNA
SCHEMBL4171022 0.73 STS (0.55) KDM4EPKMUSP30GPR119LMNA
SCHEMBL948589 0.73 GPR119 (0.45) KDM4EPKMUSP30GPR119STS
SCHEMBL948590 0.73 GPR119 (0.45) KDM4EPKMUSP30GPR119STS
SCHEMBL2083709 0.73 GPR119 (0.51) KDM4EPKMUSP30GPR119THRB
SCHEMBL2087175 0.72 USP30 (0.51) KDM4EPKMUSP30GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 KDM4E 1356/4885PKM 1959/4885USP30 3776/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 KDM4E 1558/4885PKM 1871/4885USP30 3986/4885

“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.