SCHEMBL1277415

SCHEMBL1277415

COC(=O)C[C@@H]1CSC(c2cc3cc(Oc4cccnc4)cc(NC4CCOCC4)c3[nH]2)=N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.33
ABL1 P00519 1/20 0.33
BTK Q06187 1/20 0.31
GRM5 P41594 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PTK2 Q05397 2/20 0.31
PTK2B Q14289 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
FYN P06241 1/20 0.31
PIK3CG P48736 1/20 0.31
MAPK1 P28482 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
ITGA5 P08648 1/20 0.30
GABRA5 P31644 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30
ATM Q13315 1/20 0.30
ATR Q13535 1/20 0.30
PLK4 O00444 1/20 0.30

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
SCHEMBL1277417 1.00 SYK (0.33) SYKABL1BTKGRM5IRAK4
SCHEMBL1277814 0.93 SYK (0.34) SYKABL1GRM5PTK2KMT2A
SCHEMBL1277817 0.93 SYK (0.34) SYKABL1GRM5PTK2KMT2A
SCHEMBL1278022 0.93 SYK (0.34) SYKABL1BTKGRM5KCNH2
SCHEMBL1278031 0.93 SYK (0.34) SYKABL1BTKGRM5KCNH2
SCHEMBL1277456 0.90 SYK (0.33) SYKABL1BTKPDE1APDE1B
SCHEMBL1277448 0.90 SYK (0.33) SYKABL1BTKPDE1APDE1B
SCHEMBL3805432 0.87 PDE1B (0.33) SYKABL1PDE1APDE1BMAPK1
SCHEMBL1277599 0.87 FGFR1 (0.33) SYKFYN
SCHEMBL1277597 0.87 FGFR1 (0.33) SYKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US claimed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US claimed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US claimed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP claimed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF SYK 2541/4885ABL1 1315/4885BTK 4227/4885
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 SYK 808/4885ABL1 3217/4885BTK 2117/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF SYK 2541/4885ABL1 1315/4885BTK 4227/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 SYK 1808/4885ABL1 3927/4885BTK 2830/4885

“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.