SCHEMBL4945873

SCHEMBL4945873

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3c(O)cccc3OCc3ccccc3)nc(N)c2C=O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.49
PRMT5 O14744 3/20 0.44
USP30 Q70CQ3 1/20 0.41
HTR6 P50406 4/20 0.40
BCHE P06276 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HPGDS O60760 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
YAP1 P46937 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
SCHEMBL4942308 0.90 PRMT5 (0.46) PRMT5USP30HTR6BCHEALOX5AP
SCHEMBL4947378 0.89 IKBKB (0.49) IKBKBPRMT5USP30HTR6BCHE
SCHEMBL4947301 0.88 IKBKB (0.65) IKBKB
SCHEMBL14339798 0.88 USP30 (0.41) IKBKBPRMT5USP30HTR6BCHE
SCHEMBL5424220 0.85 PRMT5 (0.51) IKBKBPRMT5USP30HTR6BCHE
SCHEMBL4944814 0.85 ALOX5AP (0.43) IKBKBPRMT5ALOX5APFEN1YAP1
SCHEMBL27601109 0.85 PRMT5 (0.45) PRMT5USP30HTR6BCHEALOX5AP
SCHEMBL4946404 0.84 PRMT5 (0.47) IKBKBPRMT5USP30HTR6BCHE
SCHEMBL4941346 0.84 SMARCA2 (0.51) IKBKBPRMT5USP30ALOX5APFEN1
SCHEMBL4946697 0.83 IKBKB (0.58) IKBKBPRMT5

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