SCHEMBL1246668

SCHEMBL1246668

Cc1nc(Nc2sc(-c3ccc(N4CCOCC4)nc3)nc2C(N)=O)ccc1C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.52
IKBKE Q14164 1/20 0.52
DGAT1 O75907 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
JAK2 O60674 2/20 0.39
JAK3 P52333 1/20 0.39
KCNH2 Q12809 1/20 0.39
SYK P43405 1/20 0.39
ATR Q13535 1/20 0.38
NR3C1 P04150 2/20 0.37
ALOX5AP P20292 1/20 0.37
CNR2 P34972 2/20 0.36
CFTR P13569 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
AOC3 Q16853 2/20 0.35

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
SCHEMBL1248702 0.87 TBK1 (0.53) TBK1IKBKEDGAT1IRAK4JAK2
SCHEMBL3511021 0.85 JAK2 (0.54) TBK1IKBKEDGAT1JAK2JAK3
SCHEMBL1248236 0.79 TBK1 (0.43) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL1246923 0.76 TBK1 (0.53) TBK1IKBKEDGAT1IRAK4JAK2
SCHEMBL1246907 0.75 IKBKE (0.57) TBK1IKBKEDGAT1IRAK4JAK2
SCHEMBL3512589 0.73 JAK2 (0.47) TBK1IKBKEDGAT1JAK2JAK3
SCHEMBL3511098 0.70 JAK2 (0.52) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL1248345 0.70 JAK2 (0.44) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL3511750 0.70 JAK2 (0.47) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL12411066 0.70 IKBKE (0.43) TBK1IKBKEDGAT1IRAK4SYK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP claimed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US claimed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US claimed
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 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 (1 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-20110166129-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 TBK1 301/4885IKBKE 93/4885DGAT1 2567/4885

“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.