SCHEMBL6457757

SCHEMBL6457757

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.57
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGS2 P35354 2/20 0.48
LMNA P02545 2/20 0.46
ADRA2A P08913 3/20 0.45
MCHR1 Q99705 3/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6457762 1.00 GHSR (0.57) GHSRKMT2AALDH1A1GAAMAPT
SCHEMBL6463675 0.95 GHSR (0.52) GHSRKMT2AALDH1A1MAPTKDM4E
SCHEMBL6458566 0.95 GHSR (0.52) GHSRKMT2AALDH1A1MAPTKDM4E
SCHEMBL6460655 0.93 KMT2A (0.61) GHSRKMT2AALDH1A1MAPTKDM4E
SCHEMBL6460650 0.93 KMT2A (0.61) GHSRKMT2AALDH1A1MAPTKDM4E
SCHEMBL13794442 0.84 MCHR1 (0.62) GHSRKMT2AALDH1A1GAAMAPT
SCHEMBL27651773 0.81 MCHR1 (0.52) KMT2AGAAMAPTADRA2AMCHR1
SCHEMBL13793328 0.80 MCHR1 (0.64) GHSRKMT2AALDH1A1KDM4EADRA2A
SCHEMBL6464493 0.80 MCHR1 (0.59) KMT2AGAAADRA2AMCHR1
SCHEMBL6464499 0.80 MCHR1 (0.59) KMT2AGAAADRA2AMCHR1

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 GHSR 388/4885KMT2A 693/4885ALDH1A1 2036/4885

“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.