SCHEMBL4947196

SCHEMBL4947196

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3ccc(=O)[nH]c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.43
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 0.40
TLR9 Q9NR96 1/20 0.39
CHEK2 O96017 1/20 0.39
HTR6 P50406 1/20 0.39
SLC2A1 P11166 1/20 0.38
SCN9A Q15858 2/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PFKFB3 Q16875 1/20 0.36
YAP1 P46937 1/20 0.36

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
SCHEMBL14339682 0.92 ALOX5AP (0.39) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4946420 0.91 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4940406 0.91 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4947771 0.90 PRMT5 (0.43) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL14339664 0.89 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4945773 0.88 PRMT5 (0.41) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL14028580 0.88 PRMT5 (0.41) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4946491 0.88 SCN9A (0.47) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4947749 0.88 HPGD (0.41) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL14028576 0.87 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1

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 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.