SCHEMBL4518511

SCHEMBL4518511

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
PRMT5 O14744 3/20 0.42
BCL9 O00512 2/20 0.41
CTNNB1 P35222 2/20 0.41
CHEK2 O96017 1/20 0.40
SLC2A1 P11166 1/20 0.39
TLR9 Q9NR96 1/20 0.38
IKBKB O14920 3/20 0.37
PROKR1 Q8TCW9 1/20 0.37
BTK Q06187 1/20 0.36
SCN9A Q15858 1/20 0.36
CHUK O15111 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
SCHEMBL4509466 0.91 ALOX5AP (0.42) ALOX5APFEN1PRMT5BCL9CTNNB1
SCHEMBL4944814 0.90 ALOX5AP (0.43) ALOX5APFEN1PRMT5BCL9CTNNB1
SCHEMBL4947353 0.90 IKBKB (0.49) ALOX5APFEN1PRMT5IKBKBCHUK
SCHEMBL4946404 0.89 PRMT5 (0.47) ALOX5APFEN1PRMT5TLR9IKBKB
SCHEMBL4944453 0.88 SRC (0.43) ALOX5APFEN1PRMT5BCL9CTNNB1
SCHEMBL4945530 0.88 IKBKB (0.49) ALOX5APFEN1CHEK2IKBKBCHUK
SCHEMBL4945725 0.87 PRMT5 (0.42) ALOX5APFEN1PRMT5BCL9CTNNB1
SCHEMBL4940406 0.85 PRMT5 (0.42) ALOX5APFEN1PRMT5BCL9CTNNB1
SCHEMBL4947196 0.84 PRMT5 (0.43) ALOX5APFEN1PRMT5BCL9CTNNB1
SCHEMBL4938772 0.83 IKBKB (0.48) PRMT5BCL9CTNNB1IKBKB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 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
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP 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
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 US disclosed
EP-1487842-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME Bayer HealthCare AG (DE) 2004-12-22 EP disclosed
WO-2003076447-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2003-09-18 WO 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-2002024651-A1 A PROCESS FOR PRODUCING 2-AMINO-4,6-DISUBSTITUTED NICOTINIC ACID ESTER ANALOGS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO 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 (4 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 ALOX5AP 1740/4885FEN1 4454/4885PRMT5 181/4885
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A ALOX5AP 586/4885FEN1 4303/4885PRMT5 3099/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS ALOX5AP 625/4885FEN1 2660/4885PRMT5 1544/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A ALOX5AP 794/4885FEN1 4488/4885PRMT5 3744/4885

“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.