SCHEMBL3508553

SCHEMBL3508553

NC(=O)c1cc(-c2ccc(-c3ccncc3)nc2)sc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.54
CDC7 O00311 3/20 0.48
DBF4 Q9UBU7 1/20 0.48
CASP1 P29466 1/20 0.47
CHUK O15111 3/20 0.43
JAK2 O60674 3/20 0.43
CHEK2 O96017 1/20 0.43
MAP2K3 P46734 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 2/20 0.41
JAK3 P52333 2/20 0.40
CHEK1 O14757 1/20 0.39
MAPT P10636 1/20 0.39
IKBKE Q14164 1/20 0.39
PKMYT1 Q99640 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL3507692 0.86 IKBKB (0.67) IKBKBCDC7DBF4CASP1CHUK
SCHEMBL613585 0.86 IKBKB (0.71) IKBKBCDC7DBF4CASP1CHUK
SCHEMBL3508885 0.79 IKBKB (0.48) IKBKBJAK2CHEK1IKBKE
SCHEMBL3508373 0.78 IKBKB (0.47) IKBKBCDC7JAK2MEN1ALDH1A1
SCHEMBL13139605 0.78 IKBKB (0.59) IKBKBJAK2MEN1ALDH1A1GAA
SCHEMBL3508452 0.78 IKBKB (0.59) IKBKBJAK2CHEK2MEN1ALDH1A1
SCHEMBL14679554 0.75 IKBKB (0.55) IKBKBJAK2MEN1ALDH1A1GAA
SCHEMBL611912 0.74 GAA (0.73) IKBKBCDC7DBF4JAK2MEN1
SCHEMBL3512249 0.74 IKBKB (0.54) IKBKBJAK2MEN1ALDH1A1GAA
SCHEMBL5898679 0.73 IKBKB (0.64) IKBKBCDC7CHEK2MEN1ALDH1A1

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 8 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
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 IKBKB 384/4885CDC7 448/4885DBF4 3394/4885

“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.