SCHEMBL6459283

SCHEMBL6459283

COc1ccc(CNC[C@H]2CC[C@@H](Nc3nc(C)c(C)c(N)n3)CC2)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
DHFR P00374 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ADRA2A P08913 1/20 0.37
NPY5R Q15761 1/20 0.37
MCHR1 Q99705 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
CDK1 P06493 4/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CDK2 P24941 3/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
APP P05067 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6465105 0.85 KDM4E (0.39) KDM4EDHFRALDH1A1MEN1KMT2A
SCHEMBL6457390 0.84 KDM4E (0.40) KDM4EDHFRALDH1A1MEN1KMT2A
SCHEMBL6459868 0.80 CD274 (0.40) DHFRADRA2ANPY5RMCHR1CDK1
SCHEMBL6455412 0.78 MCHR1 (0.37) KDM4EADRA2ANPY5RMCHR1CDK1
SCHEMBL6829020 0.77 MCHR1 (0.40) KDM4ESMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL6878044 0.77 MCHR1 (0.40) KDM4ESMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL6867923 0.75 MCHR1 (0.45) KDM4ESMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL6867919 0.75 MCHR1 (0.45) KDM4ESMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL13796012 0.75 MCHR1 (0.64) ADRA2ANPY5RMCHR1APPBCHE
SCHEMBL6876696 0.74 MCHR1 (0.39) KDM4EALDH1A1MEN1KMT2AADRA2A

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 KDM4E 1190/4885SMN1; SMN2 1477/4885DHFR 528/4885

“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.