SCHEMBL1246898

SCHEMBL1246898

CC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 0.39
PIM3 Q86V86 6/20 0.39
PIM2 Q9P1W9 6/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL1248179 0.84 PIM1 (0.41) PIM1PIM3PIM2MAP3K14
SCHEMBL1246839 0.77 IKBKB (0.44) MAP3K14
SCHEMBL1248438 0.76 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL1246903 0.75 JAK2 (0.42) JAK2JAK3KCNH2
SCHEMBL1248345 0.74 JAK2 (0.44) PIM1JAK2JAK3KCNH2
SCHEMBL14699729 0.74 JAK2 (0.38) PIM1PIM3PIM2JAK2JAK3
SCHEMBL1246906 0.73 JAK2 (0.48) JAK2JAK3KCNH2
SCHEMBL14699721 0.72 JAK2 (0.37) PIM1PIM3PIM2JAK2JAK3
SCHEMBL2180150 0.71 JAK2 (0.47) JAK2JAK3KCNH2
SCHEMBL1248346 0.70 JAK2 (0.42) 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 11 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 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 PIM1 45/4885PIM3 34/4885PIM2 60/4885

“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.