SCHEMBL6458182

SCHEMBL6458182

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)CC2)nc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 1/20 0.54
MCHR1 Q99705 16/20 0.46
ADRA2A P08913 13/20 0.46
HRH1 P35367 5/20 0.42
HTR2B P41595 5/20 0.42
KMT2A Q03164 1/20 0.42
ADRA1A P35348 3/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 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
SCHEMBL6458189 1.00 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6872197 0.89 KMT2A (0.49) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6872194 0.89 KMT2A (0.49) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6463206 0.85 MCHR1 (0.48) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6463211 0.85 MCHR1 (0.48) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6459996 0.85 HPGD (0.52) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6456688 0.85 HPGD (0.52) SMN1; SMN2RAB9AMCHR1ADRA2AHRH1
SCHEMBL6456867 0.83 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456877 0.83 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868112 0.83 MCHR1 (0.56) MCHR1ADRA2AHRH1HTR2BKMT2A

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 SMN1; SMN2 1477/4885RAB9A 1648/4885MCHR1 2/4885

“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.