SCHEMBL6456562

SCHEMBL6456562

Cc1nc(N[C@H]2CC[C@@H](NCc3cccc(Br)c3)CC2)nc(N(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.47
ADRA2A P08913 10/20 0.47
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
PRMT8 Q9NR22 1/20 0.44
NPY5R Q15761 4/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KDM1A O60341 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL6455401 0.91 MCHR1 (0.49) MCHR1ADRA2ACARM1PRMT6PRMT8
SCHEMBL6874488 0.84 MCHR1 (0.53) MCHR1ADRA2ACARM1PRMT6PRMT8
SCHEMBL6874493 0.84 MCHR1 (0.53) MCHR1ADRA2ACARM1PRMT6PRMT8
SCHEMBL13797308 0.84 MCHR1 (0.65) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6877438 0.82 CARM1 (0.49) MCHR1ADRA2ACARM1PRMT6NPY5R
SCHEMBL6877434 0.82 CARM1 (0.49) MCHR1ADRA2ACARM1PRMT6NPY5R
SCHEMBL6459968 0.82 MCHR1 (0.63) MCHR1ADRA2ANPY5RKDM1AADRA1A
SCHEMBL6879667 0.82 MCHR1 (0.63) MCHR1ADRA2ANPY5RKDM1AADRA1A
SCHEMBL6458650 0.78 MCHR1 (0.73) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6458659 0.78 MCHR1 (0.73) MCHR1ADRA2ANPY5RADRA1AHRH1

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 4 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

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 117/4885CARM1 1622/4885

“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.