SCHEMBL2179820

SCHEMBL2179820

CC(C)(O)c1ccc(-c2nc(C(N)=O)c(Nc3cccc(C(CO)N4CCS(O)(O)CC4)n3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
KCNH2 Q12809 1/20 0.42
TBK1 Q9UHD2 17/20 0.39
IKBKE Q14164 12/20 0.39

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
SCHEMBL1249736 0.94 JAK2 (0.42) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1249466 0.90 JAK2 (0.52) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL3510611 0.86 JAK2 (0.59) JAK2JAK3KCNH2
SCHEMBL3510613 0.80 JAK2 (0.59) JAK2JAK3KCNH2
SCHEMBL13537091 0.79 IKBKE (0.32) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1249350 0.78 JAK2 (0.45) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL2181092 0.78 JAK2 (0.42) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1249280 0.78 TBK1 (0.46) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL1248277 0.78 JAK2 (0.44) JAK2JAK3KCNH2TBK1IKBKE
SCHEMBL14686175 0.78 TBK1 (0.42) JAK2JAK3KCNH2TBK1IKBKE

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 6 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
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

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 1/4885JAK3 2/4885KCNH2 1568/4885

“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.