SCHEMBL6461579

SCHEMBL6461579

CN(C)c1ccnc(NC2CCC(NC(=O)c3ccc(Br)o3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
MCHR1 Q99705 14/20 0.46
ADRA2A P08913 7/20 0.45
HRH1 P35367 7/20 0.45
HTR2B P41595 6/20 0.45
ADRA1A P35348 4/20 0.45
CNR1 P21554 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.42
SMYD3 Q9H7B4 1/20 0.40

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
SCHEMBL6461575 1.00 HPGD (0.53) HPGDALDH1A1TSHRMCHR1ADRA2A
SCHEMBL6465634 0.88 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6465637 0.88 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457074 0.86 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457079 0.86 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456701 0.84 MCHR1 (0.64) HPGDALDH1A1TSHRMCHR1ADRA2A
SCHEMBL6456693 0.84 MCHR1 (0.64) HPGDALDH1A1TSHRMCHR1ADRA2A
SCHEMBL6876364 0.84 TDP1 (0.48) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6876370 0.84 TDP1 (0.48) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6457527 0.82 NPC1 (0.59) HPGDALDH1A1MCHR1ADRA2AHRH1

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 HPGD 2310/4885ALDH1A1 2036/4885TSHR 156/4885

“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.