SCHEMBL4510218

SCHEMBL4510218

O=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc(C3CCCNC3)c2CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 1.00
CHUK O15111 1/20 0.48

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
SCHEMBL4559173 1.00 IKBKB (1.00) IKBKBCHUK
SCHEMBL3464191 1.00 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL4500337 0.99 IKBKB (0.98) IKBKBCHUK
Hydrochloric Acid SCHEMBL4514515 0.99 IKBKB (0.98) IKBKBCHUK
Hydrochloric Acid SCHEMBL4509040 0.99 IKBKB (0.98) IKBKBCHUK
SCHEMBL4614268 0.90 IKBKB (0.82) IKBKBCHUK
SCHEMBL4613934 0.90 IKBKB (0.81) IKBKB
Hydrochloric Acid SCHEMBL30341853 0.90 IKBKB (0.81) IKBKBCHUK
SCHEMBL4612399 0.89 IKBKB (0.80) IKBKBCHUK
SCHEMBL14028520 0.88 IKBKB (0.78) 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 32 patents — showing the first 20. 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-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 claimed
US-9173920-B2 Methods of treating muscular wasting diseases using NF-KB activation inhibitors THERALOGICS, INC. (US) 2015-11-03 US disclosed
US-9173920-B2 Methods of treating muscular wasting diseases using NF-KB activation inhibitors THERALOGICS, INC. (US) 2015-11-03 US disclosed
US-8426355-B2 Methods of treating muscular wasting diseases using NF-κB activation inhibitors THERALOGICS, INC. (US) 2013-04-23 US disclosed
US-8426355-B2 Methods of treating muscular wasting diseases using NF-κB activation inhibitors THERALOGICS, INC. (US) 2013-04-23 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 EP 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-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 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 (4 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-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A IKBKB 28/4885CHUK 17/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS IKBKB 2996/4885CHUK 996/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A IKBKB 25/4885CHUK 15/4885

“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.