SCHEMBL2177527

SCHEMBL2177527

CC(O)(CO)c1cccc(Nc2sc(-c3ccc(Cl)cc3)nc2C(N)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.40
TBK1 Q9UHD2 8/20 0.39
IKBKE Q14164 6/20 0.39
SYK P43405 5/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL14699726 0.90 SYK (0.46) JAK2TBK1IKBKESYKKDM4E
SCHEMBL13537004 0.90 JAK2 (0.38) JAK2TBK1IKBKESYKKDM4E
SCHEMBL3512363 0.83 JAK2 (0.61) JAK2JAK3KCNH2
SCHEMBL2176419 0.75 TBK1 (0.40) TBK1IKBKEKDM4EGAA
SCHEMBL3508198 0.73 JAK2 (0.62) JAK2JAK3KCNH2
SCHEMBL1248349 0.72 JAK2 (0.57) JAK2TBK1IKBKEJAK3KCNH2
SCHEMBL1249280 0.72 TBK1 (0.46) JAK2TBK1IKBKEJAK3KCNH2
SCHEMBL1249241 0.72 JAK2 (0.48) JAK2TBK1IKBKESYKJAK3
SCHEMBL2181092 0.70 JAK2 (0.42) JAK2TBK1IKBKEJAK3KCNH2
SCHEMBL13116850 0.69 JAK2 (0.61) JAK2JAK3KCNH2

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 12 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
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 JAK2 1/4885TBK1 301/4885IKBKE 93/4885

“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.