SCHEMBL6458231

SCHEMBL6458231

CCc1ccccc1NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MCHR1 Q99705 15/20 0.41
ADRA2A P08913 13/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 5/20 0.40
HTR2B P41595 5/20 0.40
ADRA1A P35348 3/20 0.40
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
PKM P14618 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6458222 1.00 KMT2A (0.54) KMT2AMCHR1ADRA2AMEN1HTT
SCHEMBL6875445 0.94 KMT2A (0.47) KMT2AMCHR1ADRA2AMEN1HTT
SCHEMBL6875451 0.94 KMT2A (0.47) KMT2AMCHR1ADRA2AMEN1HTT
SCHEMBL6873382 0.91 KMT2A (0.44) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6874259 0.90 MAPT (0.42) KMT2AMCHR1ADRA2AMEN1HTT
SCHEMBL6874264 0.90 MAPT (0.42) KMT2AMCHR1ADRA2AMEN1HTT
SCHEMBL6462908 0.90 MCHR1 (0.42) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6462912 0.90 MCHR1 (0.42) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877651 0.90 EPHX2 (0.44) KMT2AMCHR1ADRA2AMEN1HTT
SCHEMBL6877658 0.90 EPHX2 (0.44) KMT2AMCHR1ADRA2AMEN1HTT

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 KMT2A 693/4885MCHR1 2/4885ADRA2A 117/4885

“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.