SCHEMBL1246923

SCHEMBL1246923

NC(=O)c1nc(-c2ccc(N3CCOCC3)nc2)sc1Nc1cccc(C(CO)N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.53
IKBKE Q14164 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.42
ATR Q13535 1/20 0.39
CNR2 P34972 6/20 0.38
DGAT1 O75907 2/20 0.38
AOC3 Q16853 1/20 0.38
SYK P43405 1/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK1 P23458 1/20 0.36
NR3C1 P04150 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2181153 0.93 IKBKE (0.44) TBK1IKBKEIRAK4ATRCNR2
SCHEMBL12411066 0.92 IKBKE (0.43) TBK1IKBKEIRAK4ATRCNR2
SCHEMBL2177742 0.89 IKBKE (0.41) TBK1IKBKECNR2DGAT1
SCHEMBL1249280 0.86 TBK1 (0.46) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL3512277 0.86 JAK2 (0.51) TBK1IKBKEAOC3SYKJAK2
SCHEMBL14686175 0.84 TBK1 (0.42) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL1249466 0.83 JAK2 (0.52) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL3510625 0.82 JAK2 (0.49) SYKJAK2JAK3KCNH2
SCHEMBL13117433 0.81 JAK2 (0.48) SYKJAK2JAK3KCNH2
SCHEMBL3510362 0.81 JAK2 (0.50) IRAK4AOC3JAK2JAK3KCNH2

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 93/4885IRAK4 51/4885

“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.