SCHEMBL4943483

SCHEMBL4943483

CC(C)(C)OC(=O)c1c(C2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2c(O)cccc2O)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
PARP1 P09874 3/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
IKBKB O14920 2/20 0.40
USP30 Q70CQ3 1/20 0.40
HPGDS O60760 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HSD11B1 P28845 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
SCN9A Q15858 1/20 0.39
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
ABL2 P42684 1/20 0.38
PRMT5 O14744 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
SCHEMBL14339633 0.96 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1PARP1ALOX5AP
SCHEMBL4944736 0.93 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1PARP1ALOX5AP
SCHEMBL4938233 0.91 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1PARP1ALOX5AP
SCHEMBL4945530 0.90 IKBKB (0.49) ALOX5APFEN1IKBKBCHEK2
SCHEMBL4944907 0.86 IKBKB (0.57) IKBKB
SCHEMBL4947972 0.86 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1PARP1ALOX5AP
SCHEMBL4946404 0.84 PRMT5 (0.47) PARP1ALOX5APFEN1IKBKBUSP30
SCHEMBL4947805 0.84 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1ALOX5APFEN1
SCHEMBL4947201 0.84 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1ALOX5APFEN1
SCHEMBL5425664 0.82 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1PARP1ALOX5AP

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 SMARCA2 2927/4885SMARCA4 2634/4885PBRM1 2248/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS SMARCA2 2808/4885SMARCA4 2731/4885PBRM1 3326/4885

“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.