SCHEMBL3510941

SCHEMBL3510941

NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)sc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.56
PARP1 P09874 4/20 0.53
IKBKB O14920 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51
JAK2 O60674 4/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
JAK3 P52333 2/20 0.48
KCNH2 Q12809 1/20 0.48
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
MAP3K7 O43318 1/20 0.45
SYK P43405 1/20 0.45
AOC3 Q16853 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
PDK1 Q15118 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
GRM2 Q14416 1/20 0.44

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
SCHEMBL1928109 0.84 CHEK1 (0.80) CHEK1IKBKBJAK2JAK3KCNH2
SCHEMBL1926925 0.83 IKBKB (0.56) CHEK1PARP1IKBKBHRH3JAK2
SCHEMBL3507018 0.83 JAK2 (0.64) PARP1IKBKBJAK2JAK3JAK1
SCHEMBL1926780 0.81 CHEK1 (0.81) CHEK1IKBKBJAK2JAK3KCNH2
SCHEMBL5458391 0.80 JAK2 (0.75) CHEK1PARP1JAK2JAK3JAK1
SCHEMBL1928700 0.80 MAP3K7 (0.70) CHEK1PARP1IKBKBHRH3MAP3K7
SCHEMBL3519549 0.80 IKBKB (0.53) CHEK1IKBKBJAK2JAK3JAK1
SCHEMBL6407476 0.76 JAK2 (0.52) CHEK1PARP1HRH3JAK2JAK3
SCHEMBL3508652 0.76 IKBKB (0.67) CHEK1PARP1IKBKBJAK2JAK3
SCHEMBL3510517 0.76 JAK2 (0.61) CHEK1PARP1JAK2PARP2PARP3

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 9 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
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
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 CHEK1 740/4885PARP1 1376/4885IKBKB 384/4885

“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.