SCHEMBL4099282

SCHEMBL4099282

CCOC(=O)c1cc(-c2ccnc(/C=C/c3ccccc3)c2)[nH]c1N(C(=O)OCC)C(N)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.43
AURKA O14965 2/20 0.42
JAK2 O60674 2/20 0.42
EGFR P00533 2/20 0.42
INSR P06213 2/20 0.42
LCK P06239 2/20 0.42
MET P08581 2/20 0.42
CDK2 P24941 2/20 0.42
MAPK1 P28482 2/20 0.42
KDR P35968 2/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
GSK3B P49841 2/20 0.42
JAK3 P52333 2/20 0.42
MAPKAPK5 Q8IW41 2/20 0.42
CDC7 O00311 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42

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
SCHEMBL13775159 0.82 MAPKAPK2 (0.50) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL3619124 0.79 MAPKAPK2 (0.48) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL3619130 0.79 MAPKAPK2 (0.48) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL14547478 0.77 MAPKAPK2 (0.46) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL13775160 0.75 MAPKAPK2 (0.47) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL4109545 0.74 GCGR (0.41) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL4109543 0.74 GCGR (0.41) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL3613200 0.71 HPGD (0.45) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL3613195 0.71 HPGD (0.45) MAPKAPK2AURKAJAK2EGFRINSR
SCHEMBL3614060 0.70 CDC7 (0.58) MAPKAPK2AURKAJAK2EGFRINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 EP disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885AURKA 129/4885JAK2 234/4885

“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.