SCHEMBL6455263

SCHEMBL6455263

Cc1cc(N(C)C)nc(NC2CCC(NC(=O)c3cncc(Br)c3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.67
ADRA2A P08913 4/20 0.67
HRH1 P35367 3/20 0.67
ADRA1A P35348 2/20 0.67
HTR2B P41595 2/20 0.67
CNR1 P21554 1/20 0.66
KCNH2 Q12809 1/20 0.66
AURKB Q96GD4 1/20 0.66
SMYD3 Q9H7B4 1/20 0.56
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL6455258 1.00 MCHR1 (0.67) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457057 0.86 MCHR1 (0.80) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6457050 0.86 MCHR1 (0.80) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6463357 0.85 SMYD3 (0.55) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6463349 0.85 SMYD3 (0.55) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6463513 0.84 SMYD3 (0.54) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6463508 0.84 SMYD3 (0.54) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4271948 0.84 SMYD3 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4271943 0.84 SMYD3 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL4262655 0.83 SMYD3 (0.55) MCHR1ADRA2AHRH1ADRA1AHTR2B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN claimed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN 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 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
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
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 MCHR1 2/4885ADRA2A 117/4885HRH1 54/4885

“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.