SCHEMBL1249280

SCHEMBL1249280

NC(=O)c1nc(-c2ccc(Cl)cc2)sc1Nc1cccc(C(CO)N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.46
IKBKE Q14164 7/20 0.41
TNIK Q9UKE5 1/20 0.39
JAK2 O60674 2/20 0.38
KCNH2 Q12809 2/20 0.38
JAK3 P52333 1/20 0.38
P2RX7 Q99572 4/20 0.37
TP53 P04637 1/20 0.36
BTK Q06187 1/20 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
SCHEMBL14686175 0.89 TBK1 (0.42) TBK1IKBKETNIKJAK2KCNH2
SCHEMBL1249466 0.89 JAK2 (0.52) TBK1IKBKETNIKJAK2KCNH2
SCHEMBL1246923 0.86 TBK1 (0.53) TBK1IKBKEJAK2KCNH2JAK3
SCHEMBL1248349 0.82 JAK2 (0.57) TBK1IKBKETNIKJAK2KCNH2
SCHEMBL1249618 0.81 P2RX7 (0.34) TBK1TNIKP2RX7
SCHEMBL1248277 0.80 JAK2 (0.44) TBK1IKBKETNIKJAK2KCNH2
SCHEMBL2181153 0.79 IKBKE (0.44) TBK1IKBKE
SCHEMBL1249350 0.78 JAK2 (0.45) TBK1IKBKETNIKJAK2KCNH2
SCHEMBL2179820 0.78 JAK2 (0.42) TBK1IKBKEJAK2KCNH2JAK3
SCHEMBL12411066 0.78 IKBKE (0.43) TBK1IKBKE

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 93/4885TNIK 281/4885

“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.