SCHEMBL4947725

SCHEMBL4947725

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.39
TP53 P04637 4/20 0.37
PARP1 P09874 1/20 0.36
HTR6 P50406 1/20 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
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHEK2 O96017 1/20 0.36
SCN9A Q15858 1/20 0.35
MAPT P10636 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 0.92 PRMT5 (0.43) PRMT5HTR6ALOX5APFEN1TLR9
SCHEMBL4946491 0.91 SCN9A (0.47) PRMT5PARP1HTR6ALOX5APFEN1
SCHEMBL4947749 0.91 HPGD (0.41) PRMT5TP53HTR6ALOX5APFEN1
SCHEMBL14339664 0.91 PRMT5 (0.42) PRMT5TP53HTR6ALOX5APFEN1
SCHEMBL14028580 0.90 PRMT5 (0.41) PRMT5PARP1HTR6ALOX5APFEN1
SCHEMBL4946420 0.89 PRMT5 (0.42) PRMT5PARP1HTR6ALOX5APFEN1
SCHEMBL4940406 0.89 PRMT5 (0.42) PRMT5PARP1HTR6ALOX5APFEN1
SCHEMBL4947196 0.87 PRMT5 (0.43) PRMT5HTR6ALOX5APFEN1TLR9
SCHEMBL4945773 0.87 PRMT5 (0.41) PRMT5HTR6ALOX5APFEN1TLR9
SCHEMBL14028576 0.86 PRMT5 (0.42) PRMT5TP53HTR6ALOX5APFEN1

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
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
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 (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 181/4885TP53 1603/4885PARP1 1747/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885TP53 3371/4885PARP1 1167/4885

“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.