SCHEMBL6461522

SCHEMBL6461522

Cc1onc(-c2ccccc2)c1NC(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MCHR1 Q99705 12/20 0.41
ADRA2A P08913 11/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH1 P35367 5/20 0.40
HTR2B P41595 5/20 0.40
ADRA1A P35348 3/20 0.40
MAPT P10636 1/20 0.40
NTRK1 P04629 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL6461527 1.00 MAPK8 (0.46) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6876763 0.90 MAPK8 (0.42) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6876775 0.90 MAPK8 (0.42) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6456296 0.88 KDM4E (0.43) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6456303 0.88 KDM4E (0.43) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6874901 0.88 MCHR1 (0.41) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6874907 0.88 MCHR1 (0.41) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL6876768 0.87 NPSR1 (0.40) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL4035066 0.86 MCHR1 (0.56) MAPK8MAPK14KDM4EMCHR1ADRA2A
SCHEMBL4035067 0.86 MCHR1 (0.56) MAPK8MAPK14KDM4EMCHR1ADRA2A

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 MAPK8 4019/4885MAPK14 1922/4885KDM4E 1190/4885

“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.