SCHEMBL6463008

SCHEMBL6463008

Cc1cc(Cl)ccc1NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
ADRA2A P08913 3/20 0.44
HRH1 P35367 2/20 0.44
HTR2B P41595 2/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOX1 Q9Y5S8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA1A P35348 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6463011 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL6873429 0.93 NPC1 (0.53) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL6873435 0.93 NPC1 (0.53) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL6878361 0.93 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL6878350 0.93 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL7044478 0.91 MEN1 (0.43) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL7044477 0.91 MEN1 (0.43) MCHR1ADRA2AHRH1HTR2BMAPK1
SCHEMBL6455343 0.91 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BMAPT
SCHEMBL6455345 0.91 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BMAPT
SCHEMBL6878191 0.90 TDP1 (0.42) MCHR1ADRA2AHRH1HTR2BMAPK1

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 5 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
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 MCHR1 2/4885ADRA2A 117/4885HRH1 54/4885

“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.