SCHEMBL972686

SCHEMBL972686

COC(=O)c1cn[c]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LCK P06239 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 3/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36

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
SCHEMBL971220 0.79 GABRG2 (0.40) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL1894555 0.79
SCHEMBL68869 0.78 MAPK1 (0.63) MAPK1KDM4EL3MBTL1LCKNPSR1
SCHEMBL2439990 0.77
SCHEMBL9988330 0.75 ALDH1A1 (0.45) KDM4EL3MBTL1NPSR1ALDH1A1MAPT
SCHEMBL2439626 0.74 CNR1 (0.42) KDM4EL3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL16541068 0.71
SCHEMBL5700876 0.71 KDM4E (0.61) MAPK1KDM4EL3MBTL1LCKNPSR1
SCHEMBL990711 0.71 MAPK1 (0.55) MAPK1KDM4EL3MBTL1LCKNPSR1
SCHEMBL126083 0.71 MAPK1 (0.50) MAPK1KDM4EL3MBTL1LCKNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138418-B2 For therapy of atherosclerosis and hypercholesterolemia; 5-Pentafluorophenylsulfonamidoindazole for example; increasing LDL receptor gene expression in a cell AMGEN, INC. (US) 2006-11-21 US claimed
US-6962929-B2 Pentafluorobenzenesulfonamides and analogs TULARIK INC. (US) 2005-11-08 US claimed
EP-0939627-B1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2003-09-10 EP claimed
EP-0896533-B1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2003-09-10 EP claimed
US-20030162817-A1 Pentafluorobenzenesulfonamides and analogs TULARIK INC. 2003-08-28 US claimed
JP-3421350-B2 2003-06-30 JP claimed
US-20020143036-A1 Pentafluorobenzenesulfonamides and analogs TULARIK INC. 2002-10-03 US claimed
JP-2000515545-A 2000-11-21 JP claimed
EP-0939627-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2000-10-04 EP claimed
EP-0939627-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-09-08 EP claimed
EP-0896533-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 1999-04-28 EP claimed
EP-0896533-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-02-17 EP claimed
WO-1998005315-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1998-02-12 WO claimed
WO-1997030677-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1997-08-28 WO claimed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-0896533-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-02-17 EP disclosed
WO-1998005315-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1998-02-12 WO disclosed
WO-1997030677-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1997-08-28 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 (3 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MAPK1 787/4885KDM4E 2655/4885L3MBTL1 4254/4885
US-20030162817-A1 Pentafluorobenzenesulfonamides and analogs FGFR1, FPR1, FGF1 MAPK1 163/4885KDM4E 3085/4885L3MBTL1 3789/4885
US-20020143036-A1 Pentafluorobenzenesulfonamides and analogs FFAR1, PCSK9, PFAS MAPK1 237/4885KDM4E 3135/4885L3MBTL1 3025/4885

“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.