SCHEMBL5096597

SCHEMBL5096597

NC(=O)c1ccsc1NC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.56
MAPK8 P45983 12/20 0.51
MAPK10 P53779 5/20 0.51
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5981106 0.89 PTK2 (0.46) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL1564458 0.83 KMT2A (0.56) MAPK10HTTALDH1A1MAPTNPC1
SCHEMBL10135173 0.80 PTK2 (0.76) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL7056886 0.76 PTK2 (0.70) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL1680689 0.76 PTK2 (0.73) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL5478399 0.75 PTK2 (0.63) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL14191967 0.74 IKBKB (0.39) HTTALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL5099231 0.74 IKBKB (0.36) ALDH1A1KMT2AHSD17B10
SCHEMBL11946878 0.74 PTK2 (0.71) PTK2MAPK8MAPK10HTTALDH1A1
SCHEMBL13270043 0.74 PTK2 (0.71) PTK2MAPK8MAPK10HTTALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297128-B1 INHIBITORS OF IKK- SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2012-08-15 EP disclosed
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 US disclosed
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-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP 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-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
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
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE 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 (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-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS IKBKE, CSNK1A1, CSNK1E PTK2 1455/4885MAPK8 692/4885MAPK10 691/4885
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA PTK2 741/4885MAPK8 247/4885MAPK10 202/4885
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 PTK2 180/4885MAPK8 2048/4885MAPK10 792/4885
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK PTK2 1182/4885MAPK8 2048/4885MAPK10 893/4885

“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.