SCHEMBL6461553

SCHEMBL6461553

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.61
MAPK8 P45983 1/20 0.51
MAPK14 Q16539 1/20 0.51
KMT2A Q03164 1/20 0.51
MCHR1 Q99705 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 2/20 0.46
ADRA2A P08913 2/20 0.46
HRH1 P35367 2/20 0.46
HTR2B P41595 2/20 0.46
ADRA1A P35348 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL6461560 1.00 GHSR (0.61) GHSRMAPK8MAPK14KMT2AMCHR1
SCHEMBL6463048 0.95 GHSR (0.55) GHSRMAPK8MAPK14KMT2AALDH1A1
SCHEMBL6463041 0.95 GHSR (0.55) GHSRMAPK8MAPK14KMT2AALDH1A1
SCHEMBL6867574 0.91 KMT2A (0.64) GHSRMAPK8MAPK14KMT2AALDH1A1
SCHEMBL6867571 0.91 KMT2A (0.64) GHSRMAPK8MAPK14KMT2AALDH1A1
SCHEMBL6461899 0.80 GHSR (0.58) GHSRKMT2AMCHR1ALDH1A1MAPT
SCHEMBL13794442 0.80 MCHR1 (0.62) GHSRKMT2AMCHR1ALDH1A1MAPT
SCHEMBL6467791 0.80 GHSR (0.58) GHSRKMT2AMCHR1ALDH1A1MAPT
SCHEMBL4262243 0.78 GHSR (0.55) GHSRKMT2AALDH1A1MAPT
SCHEMBL4262247 0.78 GHSR (0.55) GHSRKMT2AALDH1A1MAPT

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 388/4885MAPK8 4019/4885MAPK14 1922/4885

“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.