SCHEMBL4946404

SCHEMBL4946404

CC(C)(C)OC(=O)c1c(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2c(OCc3ccccc3)cccc2OCc2ccccc2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.47
IKBKB O14920 2/20 0.43
USP30 Q70CQ3 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
HTR6 P50406 4/20 0.41
BCHE P06276 2/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HPGDS O60760 1/20 0.41
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL4946466 0.92 PRMT5 (0.47) PRMT5USP30GPR119HTR6BCHE
SCHEMBL4518511 0.89 ALOX5AP (0.42) PRMT5IKBKBALOX5APFEN1TLR9
SCHEMBL4946697 0.88 IKBKB (0.58) PRMT5IKBKB
SCHEMBL4943046 0.88 PRMT5 (0.47) PRMT5USP30GPR119HTR6BCHE
SCHEMBL4944836 0.87 PRMT5 (0.47) PRMT5USP30GPR119HTR6BCHE
SCHEMBL4940870 0.86 PRMT5 (0.47) PRMT5USP30GPR119HTR6BCHE
SCHEMBL4947378 0.85 IKBKB (0.49) PRMT5IKBKBUSP30GPR119HTR6
SCHEMBL4945530 0.85 IKBKB (0.49) IKBKBALOX5APFEN1
SCHEMBL4943483 0.84 SMARCA2 (0.43) PRMT5IKBKBUSP30ALOX5APFEN1
SCHEMBL4945873 0.84 IKBKB (0.49) PRMT5IKBKBUSP30GPR119HTR6

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 13 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
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 181/4885IKBKB 1024/4885USP30 1478/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885IKBKB 2996/4885USP30 3492/4885

“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.