SCHEMBL1551252

SCHEMBL1551252

NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.45
HSP90AB1 P08238 4/20 0.43
METAP1 P53582 2/20 0.40
METAP2 P50579 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RPS6KA5 O75582 1/20 0.38
AURKA O14965 1/20 0.36
JMJD6 Q6NYC1 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HPSE Q9Y251 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL1551437 0.85 HSP90AB1 (0.48) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL1550931 0.83 AMY1A (0.47) METAP1METAP2
Acetic Acid SCHEMBL2159650 0.77 AMY1A (0.44)
SCHEMBL1551597 0.75 PDE5A (0.46) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL1551594 0.75 PDE5A (0.46) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL2311652 0.75 HSP90AB1 (0.61) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL2311685 0.75 HSP90AB1 (0.61) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL1551465 0.74 PDE5A (0.47) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL2158386 0.73 HSP90AB1 (0.71) PDE5AHSP90AB1METAP1METAP2SMN1; SMN2
SCHEMBL14406022 0.72 HSP90AB1 (0.58) PDE5AHSP90AB1SMN1; SMN2HPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313412-B1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI SA (FR) 2013-01-02 EP claimed
US-8178687-B2 Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof SANOFI-AVENTIS (FR) 2012-05-15 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-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
EP-2313412-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-aventis (FR) 2011-04-27 EP 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 PDE5A 4371/4885HSP90AB1 1/4885METAP1 4320/4885

“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.