SCHEMBL4504338

SCHEMBL4504338

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3c(n2)NC(=O)OC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
PRMT5 O14744 5/20 0.41
BCL9 O00512 2/20 0.38
CTNNB1 P35222 2/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
SLC2A1 P11166 1/20 0.37
CHEK2 O96017 1/20 0.37
TLR9 Q9NR96 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PFKFB3 Q16875 1/20 0.35
HTR6 P50406 1/20 0.35
HTT P42858 1/20 0.34
SCN9A Q15858 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
SCHEMBL13936043 1.00 IKBKB (0.53) IKBKBPRMT5BCL9CTNNB1ALOX5AP
SCHEMBL13936031 1.00 IKBKB (0.53) IKBKBPRMT5BCL9CTNNB1ALOX5AP
SCHEMBL14599567 0.92 IKBKB (0.46) IKBKBPRMT5BCL9CTNNB1ALOX5AP
SCHEMBL4503323 0.92 IKBKB (0.56) IKBKBBCL9CTNNB1ALDH1A1HPGD
SCHEMBL7018884 0.92 IKBKB (0.56) IKBKBBCL9CTNNB1ALDH1A1HPGD
SCHEMBL4504732 0.92 IKBKB (0.56) IKBKBBCL9CTNNB1ALDH1A1HPGD
SCHEMBL13954961 0.92 IKBKB (0.50) IKBKBPRMT5ALOX5APFEN1CHEK2
SCHEMBL4947847 0.90 PRMT5 (0.42) IKBKBPRMT5BCL9CTNNB1ALOX5AP
SCHEMBL14599370 0.90 PRMT5 (0.42) IKBKBPRMT5BCL9CTNNB1ALOX5AP
SCHEMBL5568747 0.87 IKBKB (0.47) IKBKBSLC2A1TLR9

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 22 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-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 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
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN disclosed
WO-2003076447-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2003-09-18 WO 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 (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 IKBKB 1024/4885PRMT5 181/4885BCL9 591/4885
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A IKBKB 28/4885PRMT5 3099/4885BCL9 2296/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885PRMT5 1544/4885BCL9 4611/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A IKBKB 25/4885PRMT5 3744/4885BCL9 2206/4885

“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.