SCHEMBL4944453

SCHEMBL4944453

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3c(N)ncnc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.43
EGFR P00533 3/20 0.43
ABL1 P00519 2/20 0.43
ABL2 P42684 2/20 0.43
PRMT5 O14744 3/20 0.42
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
BTK Q06187 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38
SLC2A1 P11166 1/20 0.38
CHEK2 O96017 1/20 0.38
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL4509466 0.88 ALOX5AP (0.42) SRCPRMT5ALOX5APFEN1BCL9
SCHEMBL4518511 0.88 ALOX5AP (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4944814 0.87 ALOX5AP (0.43) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4947353 0.87 IKBKB (0.49) PRMT5ALOX5APFEN1
SCHEMBL4945725 0.84 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4940406 0.83 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4947196 0.82 PRMT5 (0.43) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL6878879 0.82 PRMT5 (0.41) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL4947847 0.81 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1
SCHEMBL14599370 0.81 PRMT5 (0.42) PRMT5ALOX5APFEN1BCL9CTNNB1

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 SRC 1286/4885EGFR 2470/4885ABL1 663/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS SRC 2931/4885EGFR 2919/4885ABL1 520/4885

“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.