SCHEMBL4947749

SCHEMBL4947749

CCOC(=O)c1cc2c(C3CCCN(C(=O)OC(C)(C)C)C3)cc(-c3c(OCc4ccc(OC)cc4)cccc3OCC3CC3)nc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PRMT5 O14744 3/20 0.40
TP53 P04637 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
TLR9 Q9NR96 1/20 0.37
CHEK2 O96017 1/20 0.36
HTR6 P50406 1/20 0.36
SLC2A1 P11166 1/20 0.35
SCN9A Q15858 1/20 0.35
PFKFB3 Q16875 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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 0.93 PRMT5 (0.43) HPGDKDM4EALDH1A1PRMT5BCL9
SCHEMBL14339664 0.92 PRMT5 (0.42) HPGDKDM4EALDH1A1PRMT5TP53
SCHEMBL14028580 0.91 PRMT5 (0.41) PRMT5BCL9CTNNB1ALOX5APFEN1
SCHEMBL4947725 0.91 PRMT5 (0.39) PRMT5TP53BCL9CTNNB1ALOX5AP
SCHEMBL4940406 0.90 PRMT5 (0.42) PRMT5BCL9CTNNB1ALOX5APFEN1
SCHEMBL4946420 0.90 PRMT5 (0.42) PRMT5BCL9CTNNB1ALOX5APFEN1
SCHEMBL4946491 0.90 SCN9A (0.47) PRMT5BCL9CTNNB1ALOX5APFEN1
SCHEMBL4947196 0.88 PRMT5 (0.43) PRMT5BCL9CTNNB1ALOX5APFEN1
SCHEMBL4945773 0.88 PRMT5 (0.41) PRMT5BCL9CTNNB1ALOX5APFEN1
SCHEMBL14028576 0.86 PRMT5 (0.42) HPGDKDM4EALDH1A1PRMT5TP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGD 1115/4885KDM4E 2649/4885ALDH1A1 2402/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS HPGD 224/4885KDM4E 965/4885ALDH1A1 793/4885

“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.