SCHEMBL1674874

SCHEMBL1674874

CC(C)(C#N)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.57
JAK2 O60674 2/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
JAK3 P52333 1/20 0.52
MTOR P42345 4/20 0.45
GAA P10253 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 4/20 0.43
ALOX15 P16050 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ADORA1 P30542 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL3510066 0.85 IKBKB (0.65) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL1427928 0.83 IKBKB (0.63) IKBKBJAK2JAK3GAAALDH1A1
SCHEMBL3510672 0.83 IKBKB (0.49) IKBKBJAK2JAK1TYK2JAK3
SCHEMBL3509360 0.79 IKBKB (0.65) IKBKBJAK2JAK3GAAALDH1A1
SCHEMBL1579411 0.78 IKBKB (0.56) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL5898698 0.77 IKBKB (0.71) IKBKBJAK2JAK3GAAALDH1A1
SCHEMBL3507771 0.75 IKBKB (0.73) IKBKBJAK2JAK3GAAALDH1A1
SCHEMBL1684109 0.75 IKBKB (0.67) IKBKBJAK2GAAALDH1A1MEN1
SCHEMBL1428039 0.74 IKBKB (0.71) IKBKBJAK2JAK3GAAALDH1A1
SCHEMBL1428022 0.74 IKBKB (0.71) IKBKBJAK2GAAALDH1A1MEN1

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 17 patents. 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
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 US disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 US disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 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
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US 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

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 1/4885JAK1 3/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 IKBKB 384/4885JAK2 1/4885JAK1 3/4885

“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.