SCHEMBL3464191

SCHEMBL3464191

O=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc([C@@H]3CCCNC3)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
SCHEMBL4510218 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US claimed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US claimed
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 EP claimed
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 US claimed
EP-3288558-B1 COMBINATIONS OF INHIBITORS OF IRAK4 WITH INHIBITORS OF BTK Bayer Pharma AG (DE) 2022-05-11 EP disclosed
EP-3423446-B1 NEW 2-SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS Bayer Pharma AG (DE) 2020-09-16 EP disclosed
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-10435396-B2 2-substituted indazoles, methods for producing same, pharmaceutical preparations that contain same, and use of same to produce drugs BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-10226469-B2 Use of substituted 2,3-dihydroimidazo[1,2-C]quinazolines for treating lymphomas BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-12 US disclosed
US-20190071432-A1 NEW 2-SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-07 US disclosed
EP-3423446-A1 NEW 2-SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS Bayer Pharma Aktiengesellschaft (DE) 2019-01-09 EP disclosed
US-20180289685-A1 COMBINATIONS OF INHIBITORS OF IRAK4 WITH INHIBITORS OF BTK BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-11 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 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
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 EP disclosed
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 EP disclosed
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 US disclosed
EP-1487842-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME Bayer HealthCare AG (DE) 2004-12-22 EP disclosed
JP-2003277383-A OPTICALLY ACTIVE PYRIDINE DERIVATIVE AND MEDICINE CONTAINING THE SAME BAYER AG 2003-10-02 JP disclosed
WO-2003076447-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2003-09-18 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 (7 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-10435396-B2 2-substituted indazoles, methods for producing same, pharmaceutical preparations that contain same, and use of same to produce drugs CYP11B2, CYP19A1, CYP11B1 IKBKB 347/4885CHUK 315/4885
US-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 IKBKB 5/4885CHUK 15/4885
US-20180289685-A1 COMBINATIONS OF INHIBITORS OF IRAK4 WITH INHIBITORS OF BTK IRAK4, IRAK1, IRAK2 IKBKB 7/4885CHUK 10/4885
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A IKBKB 28/4885CHUK 17/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A IKBKB 25/4885CHUK 15/4885
US-10226469-B2 Use of substituted 2,3-dihydroimidazo[1,2-C]quinazolines for treating lymphomas MALT1, BCL6B, BCL9L IKBKB 256/4885CHUK 84/4885
US-20190071432-A1 NEW 2-SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS CYP11B2, CYP19A1, CYP11B1 IKBKB 378/4885CHUK 365/4885

“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.