SCHEMBL4601150

SCHEMBL4601150

CC(=O)NCc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CC2)nc1N

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.69
CHUK O15111 1/20 0.55

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
Hydrochloric Acid SCHEMBL27601106 0.99 IKBKB (0.68) IKBKBCHUK
SCHEMBL4948020 0.93 IKBKB (0.69) IKBKBCHUK
SCHEMBL4948176 0.93 IKBKB (0.69) IKBKBCHUK
Hydrochloric Acid SCHEMBL4941319 0.92 IKBKB (0.69) IKBKBCHUK
SCHEMBL14492131 0.92 IKBKB (0.66) IKBKBCHUK
SCHEMBL14028534 0.91 IKBKB (0.65) IKBKBCHUK
SCHEMBL14492126 0.91 IKBKB (0.67) IKBKBCHUK
SCHEMBL14492127 0.90 IKBKB (0.64) IKBKBCHUK
SCHEMBL4946463 0.90 IKBKB (0.64) IKBKBCHUK
SCHEMBL14492128 0.89 IKBKB (0.62) IKBKBCHUK

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912646-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS Bayer HealthCare AG (DE) 2008-04-23 EP claimed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP claimed
WO-2007014671-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS BAYER HEALTHCARE AG (DE) 2007-02-08 WO claimed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US claimed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN claimed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP claimed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO claimed
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-1912646-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS Bayer HealthCare AG (DE) 2008-04-23 EP 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
WO-2007014671-A2 COMBINATIONS CONTAINING IKK-BETA INHIBITORS BAYER HEALTHCARE AG (DE) 2007-02-08 WO 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 IKBKB 1024/4885CHUK 372/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885CHUK 996/4885

“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.