SCHEMBL3511240

SCHEMBL3511240

CC(=O)c1ccc(-c2cc(C(N)=O)c([N+](=O)[O-])s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
IKBKB O14920 4/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CHEK1 O14757 2/20 0.40
JAK2 O60674 3/20 0.39
MEN1 O00255 1/20 0.39
EIF2AK2 P19525 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK3 P52333 1/20 0.38
NPBWR1 P48145 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL3512115 0.83 JAK2 (0.47) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL3508888 0.82 IKBKB (0.40) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL3677871 0.79 TSHR (0.44) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL1684109 0.79 IKBKB (0.67) IKBKBHDAC6ALDH1A1CHEK1JAK2
SCHEMBL3508956 0.76 CASP1 (0.41) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL3507361 0.76 JAK2 (0.37) IKBKBHDAC6ALDH1A1CHEK1JAK2
SCHEMBL3509176 0.75 IKBKB (0.36) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL3509073 0.74 IKBKB (0.37) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL10051889 0.74 IKBKB (0.71) IKBKBHDAC6CHEK1JAK2MEN1
SCHEMBL3509187 0.73 JAK2 (0.41) IKBKBHDAC6ALDH1A1CHEK1JAK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 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-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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 MAPK1 54/4885IKBKB 384/4885HDAC6 854/4885

“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.