SCHEMBL6465105

SCHEMBL6465105

COc1cc(OC)c(OC)cc1CNC[C@H]1CC[C@@H](Nc2nc(C)c(C)c(N)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCHR1 Q99705 2/20 0.37
ADRA2A P08913 2/20 0.37
NPY5R Q15761 1/20 0.37
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CDK1 P06493 3/20 0.35
CDK4 P11802 2/20 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
SCHEMBL6455412 0.88 MCHR1 (0.37) KDM4EMCHR1ADRA2ANPY5RCDK1
SCHEMBL6459283 0.85 KDM4E (0.38) KDM4EMEN1KMT2AMCHR1ADRA2A
SCHEMBL6459868 0.85 CD274 (0.40) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6457390 0.85 KDM4E (0.40) KDM4EGAAMEN1KMT2AMCHR1
SCHEMBL6462321 0.80 GAA (0.34) KDM4EGAAMEN1HTTKMT2A
SCHEMBL6873577 0.74 MCHR1 (0.42) KDM4EGAAMEN1HTTKMT2A
SCHEMBL6873584 0.74 MCHR1 (0.42) KDM4EGAAMEN1HTTKMT2A
SCHEMBL6878131 0.74 MCHR1 (0.44) KDM4EGAAMEN1HTTKMT2A
SCHEMBL6456639 0.74 HDAC6 (0.50) KDM4EMCHR1ADRA2ANPY5R
SCHEMBL6878137 0.74 MCHR1 (0.44) KDM4EGAAMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KDM4E 1190/4885GAA 484/4885MEN1 734/4885

“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.