SCHEMBL1428008

SCHEMBL1428008

CC(C)(O)c1ccc(-c2cc(C(N)=O)c(N)s2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
JAK2 O60674 5/20 0.40
BTK Q06187 3/20 0.39
JAK3 P52333 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
ALOX5AP P20292 5/20 0.36
FEN1 P39748 4/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
DGAT1 O75907 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1246906 0.83 JAK2 (0.48) IKBKBJAK2BTKJAK3KCNH2
SCHEMBL3509165 0.81 JAK2 (0.53) IKBKBJAK2ALOX5APFEN1MEN1
SCHEMBL1427928 0.80 IKBKB (0.63) IKBKBJAK2JAK3KCNH2MEN1
SCHEMBL1432774 0.80 IKBKB (0.46) IKBKBJAK2MEN1ALDH1A1GAA
SCHEMBL3507661 0.79 JAK2 (0.52) JAK2JAK3KCNH2
SCHEMBL13270359 0.79 FGFR3 (0.41) ALOX5APFEN1MEN1GAAKMT2A
SCHEMBL3508081 0.77 JAK2 (0.53) JAK2JAK3KCNH2
SCHEMBL14011724 0.77 JAK2 (0.51) JAK2JAK3KCNH2
SCHEMBL3508176 0.76 IKBKB (0.62) IKBKBJAK2JAK3KCNH2ALOX5AP
SCHEMBL6613345 0.76 DGAT1 (0.58) JAK2BTKAKR1C3AKR1C2GAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 US disclosed
EP-2299816-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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 (2 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-20110082136-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 IKBKB 380/4885JAK2 1/4885BTK 66/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 IKBKB 384/4885JAK2 1/4885BTK 61/4885

“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.