SCHEMBL5092793

SCHEMBL5092793

CC(=O)Nc1sccc1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 1.00
MAPK8 P45983 9/20 0.61
MAPK10 P53779 4/20 0.61
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
FLT3 P36888 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
SCHEMBL10135173 0.86 PTK2 (0.76) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL10202041 0.85 PTK2 (0.73) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL1680689 0.85 PTK2 (0.73) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL1704195 0.83 PTK2 (0.71) PTK2MAPK8MAPK10MAPTALDH1A1
SCHEMBL11946878 0.83 PTK2 (0.71) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL13270043 0.83 PTK2 (0.71) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL24488916 0.82 PTK2 (0.70) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL7056886 0.82 PTK2 (0.70) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL23323409 0.81 PTK2 (0.69) PTK2MAPK8MAPK10MAPTNPC1
SCHEMBL19494280 0.81 PTK2 (0.68) PTK2MAPK8MAPK10MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 US disclosed
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 US disclosed
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 US disclosed
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 EP disclosed
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 EP disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 US disclosed
US-7375131-B2 NF-κB inhibitors SMITHKLINEBEECHAM CORP. (US) 2008-05-20 US disclosed
EP-1532133-A4 NF-:B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US 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
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US disclosed
WO-2003104218-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP disclosed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC3, ABCC5 PTK2 3198/4885MAPK8 4691/4885MAPK10 4123/4885
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-20060030596-A1 NF-kappaB inhibitors NFKBIA, IKBKB, IKBKG PTK2 805/4885MAPK8 1820/4885MAPK10 716/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG PTK2 481/4885MAPK8 1153/4885MAPK10 340/4885

“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.