SCHEMBL2158477

SCHEMBL2158477

O=C(NC1c2cccc(-c3cnc4ccccc4c3)c2-n2cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.49
HSP90AA1 P07900 7/20 0.36
NUDT1 P36639 2/20 0.35
TNKS O95271 1/20 0.35
MAP4K4 O95819 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
ACHE P22303 1/20 0.34
GSK3B P49841 1/20 0.34
SERPINE1 P05121 1/20 0.34
HCRTR2 O43614 1/20 0.34
MET P08581 1/20 0.33
MMP9 P14780 1/20 0.33
PRKCI P41743 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL10244431 0.83 HSP90AB1 (0.67) HSP90AB1HSP90AA1NUDT1TNKSMAP4K4
SCHEMBL2158386 0.81 HSP90AB1 (0.71) HSP90AB1NUDT1TNKSACHEGSK3B
SCHEMBL2158416 0.80 HSP90AB1 (0.56) HSP90AB1ACHEGSK3BHCRTR2MET
SCHEMBL13575004 0.76 HSP90AA1 (0.34) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL13575000 0.76 HSP90AB1 (0.45) HSP90AB1NUDT1TNKS
SCHEMBL2158462 0.75 MAP4K4 (0.42) HSP90AA1MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL14406022 0.75 HSP90AB1 (0.58) HSP90AB1
SCHEMBL2158650 0.74 HSP90AB1 (0.57) HSP90AB1
SCHEMBL2079662 0.74 HSP90AB1 (0.66) HSP90AB1HSP90AA1NUDT1MAP4K4CSNK1G2
SCHEMBL2605039 0.74 HSP90AB1 (0.63) HSP90AB1NUDT1TNKSGSK3BPRKCI

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-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US claimed
EP-2313412-B1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI SA (FR) 2013-01-02 EP disclosed
US-8178687-B2 Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof SANOFI-AVENTIS (FR) 2012-05-15 US disclosed
US-8178687-B2 Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof SANOFI-AVENTIS (FR) 2012-05-15 US disclosed
US-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
US-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
US-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
WO-2009153516-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-12-23 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-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885NUDT1 2633/4885

“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.