SCHEMBL1248702

SCHEMBL1248702

CC(C)(O)c1ccc(Nc2sc(-c3ccc(N4CCOCC4)nc3)nc2C(N)=O)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.53
IKBKE Q14164 1/20 0.53
JAK2 O60674 2/20 0.43
JAK3 P52333 1/20 0.43
KCNH2 Q12809 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
HSD11B1 P28845 2/20 0.41
DGAT1 O75907 1/20 0.40
SYK P43405 1/20 0.40
ATR Q13535 1/20 0.39
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
NR3C1 P04150 2/20 0.38
MAPT P10636 2/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1246668 0.87 TBK1 (0.52) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL2178927 0.83 TBK1 (0.43) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL2176419 0.79 TBK1 (0.40) TBK1IKBKESMN1; SMN2
SCHEMBL1246907 0.76 IKBKE (0.57) TBK1IKBKEJAK2IRAK4DGAT1
SCHEMBL1246923 0.76 TBK1 (0.53) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL14686289 0.75 TBK1 (0.39) TBK1IKBKE
SCHEMBL1248381 0.73 JAK2 (0.50) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL1248307 0.73 JAK2 (0.74) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL1248438 0.73 JAK2 (0.43) TBK1IKBKEJAK2JAK3KCNH2
SCHEMBL3511021 0.72 JAK2 (0.54) TBK1IKBKEJAK2JAK3KCNH2

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 13 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

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 93/4885JAK2 1/4885

“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.