SCHEMBL4939601

SCHEMBL4939601

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c(C#N)c(/N=C/N)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.40
IKBKB O14920 7/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
SLC2A1 P11166 1/20 0.38
BCL9 O00512 2/20 0.38
CTNNB1 P35222 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
CHUK O15111 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CHEK2 O96017 1/20 0.36
CSF1R P07333 1/20 0.34
KIT P10721 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
SCHEMBL4939611 1.00 PRMT5 (0.40) PRMT5IKBKBALOX5APFEN1SLC2A1
SCHEMBL4947353 0.90 IKBKB (0.49) PRMT5IKBKBALOX5APFEN1CHUK
SCHEMBL4944814 0.84 ALOX5AP (0.43) PRMT5IKBKBALOX5APFEN1SLC2A1
SCHEMBL4938772 0.83 IKBKB (0.48) PRMT5IKBKBBCL9CTNNB1
SCHEMBL4518511 0.83 ALOX5AP (0.42) PRMT5IKBKBALOX5APFEN1SLC2A1
SCHEMBL4509466 0.83 ALOX5AP (0.42) PRMT5IKBKBALOX5APFEN1SLC2A1
SCHEMBL4938815 0.83 IKBKB (0.51) IKBKBSLC2A1CHUK
SCHEMBL7171874 0.81 SLC2A1 (0.43) PRMT5IKBKBSLC2A1GPR119CHUK
SCHEMBL4944453 0.81 SRC (0.43) PRMT5ALOX5APFEN1SLC2A1BCL9
SCHEMBL4947847 0.81 PRMT5 (0.42) PRMT5IKBKBALOX5APFEN1SLC2A1

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 11 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
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 181/4885IKBKB 1024/4885ALOX5AP 1740/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS PRMT5 1544/4885IKBKB 2996/4885ALOX5AP 625/4885

“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.