SCHEMBL6461899

SCHEMBL6461899

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRA2A P08913 4/20 0.45
MCHR1 Q99705 4/20 0.45
HRH1 P35367 2/20 0.45
HTR2B P41595 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 1/20 0.44
ADRA1A P35348 1/20 0.43

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
SCHEMBL6467791 1.00 GHSR (0.58) GHSRKMT2AKDM4EUSP2HTT
SCHEMBL6461762 0.95 HTT (0.53) GHSRKMT2AKDM4EUSP2HTT
SCHEMBL6461754 0.95 HTT (0.53) GHSRKMT2AKDM4EUSP2HTT
SCHEMBL6472236 0.92 KMT2A (0.63) GHSRKMT2AKDM4EUSP2HTT
SCHEMBL6463319 0.92 KMT2A (0.63) GHSRKMT2AKDM4EUSP2HTT
SCHEMBL13794442 0.85 MCHR1 (0.62) GHSRKMT2AKDM4EALDH1A1GAA
SCHEMBL27651758 0.81 MCHR1 (0.54) ADRA2AMCHR1HRH1HTR2BADRA1A
SCHEMBL13793328 0.81 MCHR1 (0.64) GHSRKMT2AKDM4EALDH1A1ADRA2A
SCHEMBL6461553 0.80 GHSR (0.61) GHSRKMT2AKDM4EALDH1A1GAA
SCHEMBL6461560 0.80 GHSR (0.61) GHSRKMT2AKDM4EALDH1A1GAA

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 6 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
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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
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 disclosed
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 GHSR 388/4885KMT2A 693/4885KDM4E 1190/4885

“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.