SCHEMBL6457315

SCHEMBL6457315

Cc1noc(-c2ccccc2)c1NC(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.43
MCHR1 Q99705 10/20 0.40
ADRA2A P08913 8/20 0.40
LMNA P02545 2/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 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
SCHEMBL6457298 1.00 KDM4E (0.44) KDM4EMAPTEPHX1MCHR1ADRA2A
SCHEMBL6872015 0.89 KDM4E (0.41) KDM4EMAPTMCHR1ADRA2ALMNA
SCHEMBL6875042 0.87 KDM4E (0.43) KDM4EMAPTEPHX1MCHR1ADRA2A
SCHEMBL6875022 0.87 KDM4E (0.43) KDM4EMAPTEPHX1MCHR1ADRA2A
SCHEMBL6877850 0.85 EPHX1 (0.49) KDM4EEPHX1MCHR1ADRA2ALMNA
SCHEMBL6877843 0.85 EPHX1 (0.49) KDM4EEPHX1MCHR1ADRA2ALMNA
SCHEMBL6455680 0.84 EPHX1 (0.47) KDM4EEPHX1MCHR1ADRA2ALMNA
SCHEMBL6455687 0.84 EPHX1 (0.47) KDM4EEPHX1MCHR1ADRA2ALMNA
SCHEMBL4030374 0.83 MCHR1 (0.56) KDM4EMAPTEPHX1MCHR1ADRA2A
SCHEMBL4030372 0.83 MCHR1 (0.56) KDM4EMAPTEPHX1MCHR1ADRA2A

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
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 KDM4E 1190/4885MAPT 517/4885EPHX1 504/4885

“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.