SCHEMBL4947847

SCHEMBL4947847

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3c(n2)NCOC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.42
IKBKB O14920 1/20 0.41
BCL9 O00512 2/20 0.39
CTNNB1 P35222 2/20 0.39
SLC2A1 P11166 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CHEK2 O96017 1/20 0.38
TLR9 Q9NR96 1/20 0.36
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.35
PFKFB3 Q16875 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL4504338 0.90 IKBKB (0.53) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL13936031 0.90 IKBKB (0.53) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL13936043 0.90 IKBKB (0.53) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL14599370 0.87 PRMT5 (0.42) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL6878879 0.86 PRMT5 (0.41) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL4947353 0.84 IKBKB (0.49) PRMT5IKBKBALOX5APFEN1
SCHEMBL4518511 0.83 ALOX5AP (0.42) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL4509466 0.83 ALOX5AP (0.42) PRMT5IKBKBBCL9CTNNB1SLC2A1
SCHEMBL4947196 0.83 PRMT5 (0.43) PRMT5BCL9CTNNB1SLC2A1ALOX5AP
SCHEMBL4944814 0.83 ALOX5AP (0.43) PRMT5IKBKBBCL9CTNNB1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 PRMT5 181/4885IKBKB 1024/4885BCL9 591/4885

“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.