SCHEMBL6458625

SCHEMBL6458625

COc1cc(OC)c(NC(=O)N[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CHEK1 O14757 1/20 0.45
MCHR1 Q99705 5/20 0.44
ADRA2A P08913 2/20 0.44
HRH1 P35367 2/20 0.44
HTR2B P41595 2/20 0.44
AURKB Q96GD4 2/20 0.43
KDR P35968 2/20 0.43
RIPK2 O43353 1/20 0.43
ERN1 O75460 1/20 0.43
STK10 O94804 1/20 0.43
MAP3K6 O95382 1/20 0.43
ABL1 P00519 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL6458640 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6460836 0.89 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6460841 0.89 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6878920 0.88 MALT1 (0.47) KMT2AMEN1ALDH1A1MCHR1ADRA2A
SCHEMBL6878909 0.88 MALT1 (0.47) KMT2AMEN1ALDH1A1MCHR1ADRA2A
SCHEMBL6867012 0.86 MAPT (0.52) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6867007 0.86 MAPT (0.52) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL6868252 0.85 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6868258 0.85 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6869279 0.84 MAPK14 (0.54) MCHR1ADRA2AHRH1HTR2BAURKB

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 KMT2A 693/4885MEN1 734/4885ALDH1A1 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.