SCHEMBL2158386

SCHEMBL2158386

O=C(NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.71
RHEB Q15382 1/20 0.34
PDE5A O76074 3/20 0.33
TNKS O95271 1/20 0.33
NAMPT P43490 1/20 0.33
HPSE Q9Y251 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
GSK3B P49841 1/20 0.32
NUDT1 P36639 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
FASN P49327 1/20 0.31
MET P08581 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
IGF1R P08069 1/20 0.31
CDK2 P24941 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL14406022 0.91 HSP90AB1 (0.58) HSP90AB1PDE5AHPSESMN1; SMN2FASN
SCHEMBL2158650 0.90 HSP90AB1 (0.57) HSP90AB1RHEBPDE5AHPSESMN1; SMN2
SCHEMBL2158416 0.89 HSP90AB1 (0.56) HSP90AB1RHEBACHEGSK3BMETAP2
SCHEMBL14344002 0.87 HSP90AB1 (0.54) HSP90AB1RHEBPDE5AHPSEMETAP2
SCHEMBL13437202 0.83 HSP90AB1 (1.00) HSP90AB1RHEBPDE5ATNKSHPSE
SCHEMBL14343938 0.81 HSP90AB1 (0.47) HSP90AB1RHEBPDE5AHPSESMN1; SMN2
SCHEMBL2158477 0.81 HSP90AB1 (0.49) HSP90AB1TNKSACHEGSK3BNUDT1
SCHEMBL13575000 0.80 HSP90AB1 (0.45) HSP90AB1TNKSNUDT1
SCHEMBL14343838 0.77 HSP90AB1 (0.42) HSP90AB1RHEBMET
SCHEMBL13575003 0.77 HSP90AB1 (0.42) HSP90AB1PDE5AHPSE

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 1/4885RHEB 2938/4885PDE5A 4371/4885

“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.