SCHEMBL6456663

SCHEMBL6456663

COc1cc(NC(=O)NC2CCC(Nc3nccc(N(C)C)n3)CC2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.44
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 4/20 0.43
PTK2 Q05397 2/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
IGF1R P08069 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6456655 1.00 AURKB (0.44) AURKBCNR1KCNH2MCHR1PTK2
SCHEMBL6876727 0.90 SMN1; SMN2 (0.50) AURKBCNR1KCNH2MCHR1POLB
SCHEMBL6876738 0.90 SMN1; SMN2 (0.50) AURKBCNR1KCNH2MCHR1POLB
SCHEMBL6459387 0.89 ALDH1A1 (0.42) AURKBCNR1KCNH2MCHR1PTK2
SCHEMBL6459383 0.89 ALDH1A1 (0.42) AURKBCNR1KCNH2MCHR1PTK2
SCHEMBL6874831 0.86 CNR1 (0.56) AURKBCNR1KCNH2MCHR1POLB
SCHEMBL6874840 0.86 CNR1 (0.56) AURKBCNR1KCNH2MCHR1POLB
SCHEMBL6878920 0.86 MALT1 (0.47) AURKBMCHR1MEN1KMT2ACCNC
SCHEMBL6878909 0.86 MALT1 (0.47) AURKBMCHR1MEN1KMT2ACCNC
SCHEMBL6460190 0.85 POLB (0.49) AURKBPOLBMAPTKITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AURKB 1481/4885CNR1 77/4885KCNH2 1870/4885

“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.