SCHEMBL4945773

SCHEMBL4945773

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3cc([N+](=O)[O-])c(=O)[nH]c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.41
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
TLR9 Q9NR96 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
CHEK2 O96017 1/20 0.37
HTR6 P50406 1/20 0.36
SLC2A1 P11166 1/20 0.36
BTK Q06187 1/20 0.35
HPGDS O60760 1/20 0.34
SCN9A Q15858 1/20 0.34
PFKFB3 Q16875 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL4944434 0.92 HPGD (0.36) PRMT5BCL9CTNNB1
SCHEMBL4944425 0.92 HPGD (0.36) PRMT5BCL9CTNNB1
SCHEMBL4940406 0.90 PRMT5 (0.42) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL4946420 0.90 PRMT5 (0.42) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL4947771 0.90 PRMT5 (0.43) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL14339664 0.89 PRMT5 (0.42) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL4947196 0.88 PRMT5 (0.43) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL14028580 0.88 PRMT5 (0.41) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL4947749 0.88 HPGD (0.41) PRMT5ALOX5APFEN1TLR9BCL9
SCHEMBL4947725 0.87 PRMT5 (0.39) PRMT5ALOX5APFEN1TLR9BCL9

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 13 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-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-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP 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
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO 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 (2 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 181/4885ALOX5AP 1740/4885FEN1 4454/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885ALOX5AP 625/4885FEN1 2660/4885

“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.