SCHEMBL6462718

SCHEMBL6462718

COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.45
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 7/20 0.44
ADRA2A P08913 3/20 0.42
AURKA O14965 2/20 0.41
MET P08581 2/20 0.41
KDR P35968 2/20 0.41
TEK Q02763 2/20 0.41
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
FGR P09769 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBXA2R P21731 3/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL6462713 1.00 AURKB (0.45) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL6874864 0.87 MCHR1 (0.45) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL6874857 0.87 MCHR1 (0.45) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL4266920 0.84 CNR1 (0.43) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL4266925 0.84 CNR1 (0.43) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL6879434 0.83 MCHR1 (0.50) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL6879428 0.83 MCHR1 (0.50) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL13793822 0.82 MCHR1 (0.66) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6463519 0.82 MCHR1 (0.46) AURKBCNR1KCNH2MCHR1ADRA2A
SCHEMBL6463516 0.82 MCHR1 (0.46) AURKBCNR1KCNH2MCHR1ADRA2A

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 AURKB 1481/4885CNR1 77/4885KCNH2 1870/4885

“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.