SCHEMBL6460258

SCHEMBL6460258

CCC(Oc1ccccc1)C(=O)NC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MCHR1 Q99705 5/20 0.42
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.39
MAPK8 P45983 3/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
CNR1 P21554 1/20 0.39
KCNH2 Q12809 1/20 0.39
AURKB Q96GD4 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.38
CCNE1 P24864 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
SCHEMBL6460241 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL6455744 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL6455756 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AADORA3ADORA2A
SCHEMBL6879696 0.87 TSHR (0.47) ADORA3ADORA2AADORA1MCHR1TSHR
SCHEMBL6879679 0.87 TSHR (0.47) ADORA3ADORA2AADORA1MCHR1TSHR
SCHEMBL6880601 0.83 LMNA (0.41) MCHR1MAPK8MAPK9MAPK10LMNA
SCHEMBL6880608 0.83 LMNA (0.41) MCHR1MAPK8MAPK9MAPK10LMNA
SCHEMBL6455514 0.81 LMNA (0.50) ALDH1A1MEN1KMT2AMCHR1LMNA
SCHEMBL6455521 0.81 LMNA (0.50) ALDH1A1MEN1KMT2AMCHR1LMNA
SCHEMBL6457922 0.81 CCR1 (0.43) MCHR1MAPK8MAPK9MAPK10CYP2C9

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 ALDH1A1 2036/4885MEN1 734/4885KMT2A 693/4885

“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.