SCHEMBL5099231

SCHEMBL5099231

NC(=O)c1cc(Br)sc1NC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EIF2AK2 P19525 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CFTR P13569 2/20 0.34
CHEK1 O14757 1/20 0.33

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
SCHEMBL1564206 0.84 KDM4E (0.39) KMT2AALDH1A1HSD17B10
SCHEMBL14191967 0.83 IKBKB (0.39) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL10135175 0.81 MEN1 (0.47) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL7055093 0.78 IKBKB (0.43) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL491042 0.77 IKBKB (0.55) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL5207334 0.76 IKBKB (0.54) IKBKBJAK2JAK3MEN1KMT2A
SCHEMBL5096597 0.74 PTK2 (0.56) KMT2AALDH1A1HSD17B10
SCHEMBL5105544 0.74 MEN1 (0.59) IKBKBJAK2JAK3MEN1KMT2A
Bicarbonate SCHEMBL5978745 0.72 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A
Bicarbonate SCHEMBL5978736 0.72 IKBKB (0.50) IKBKBJAK2JAK3MEN1KMT2A

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
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US disclosed
WO-2010122294-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2010-10-28 WO disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
WO-2009130434-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2009-10-29 WO disclosed
US-7375131-B2 NF-κB inhibitors SMITHKLINEBEECHAM CORP. (US) 2008-05-20 US disclosed
US-7375131-B2 NF-κB inhibitors SMITHKLINEBEECHAM CORP. (US) 2008-05-20 US disclosed
WO-2008053182-A1 IKK-β SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
EP-1532133-A4 NF-:B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
US-20050165087-A1 For treating diseases with aminothiophene inhibitors of IKK-beta phosphorylation of I kappa B, including inflammatory and tissue repair disorders, particularly rheumatoid arthritis, inflammatory bowel disease CALLAHAN JAMES F (US) 2005-07-28 US disclosed
EP-1532133-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2003104218-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 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 (5 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-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS IKBKE, CSNK1A1, CSNK1E IKBKB 7/4885JAK2 593/4885JAK3 542/4885
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK IKBKB 1/4885JAK2 1292/4885JAK3 401/4885
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 IKBKB 5/4885JAK2 984/4885JAK3 338/4885
US-20050165087-A1 For treating diseases with aminothiophene inhibitors of IKK-beta phosphorylation of I kappa B, including inflammatory and tissue repair disorders, particularly rheumatoid arthritis, inflammatory bowel disease NFKBIA, IKBKG, IKBKE IKBKB 4/4885JAK2 260/4885JAK3 157/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK IKBKB 5/4885JAK2 1460/4885JAK3 889/4885

“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.