SCHEMBL4946491

SCHEMBL4946491

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.47
PRMT5 O14744 3/20 0.39
HTR6 P50406 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TLR9 Q9NR96 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
CHEK2 O96017 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
SLC2A1 P11166 1/20 0.35
TGFBR1 P36897 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PARP1 P09874 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
SCHEMBL4947771 0.92 PRMT5 (0.43) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL4947725 0.91 PRMT5 (0.39) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL14339664 0.91 PRMT5 (0.42) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL14028580 0.90 PRMT5 (0.41) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL4947749 0.90 HPGD (0.41) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL4940406 0.89 PRMT5 (0.42) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL4946420 0.89 PRMT5 (0.42) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL4947196 0.88 PRMT5 (0.43) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL4945773 0.87 PRMT5 (0.41) SCN9APRMT5HTR6ALOX5APFEN1
SCHEMBL14028576 0.86 PRMT5 (0.42) PRMT5HTR6ALOX5APFEN1TLR9

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 14 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
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN 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 SCN9A 1198/4885PRMT5 181/4885HTR6 643/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS SCN9A 911/4885PRMT5 1544/4885HTR6 1393/4885

“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.