SCHEMBL1551276

SCHEMBL1551276

O=C1c2cccc(-c3cnc4ccccc4c3)c2-n2cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
BIRC5 O15392 1/20 0.45
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
CYP2A6 P11509 1/20 0.43
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
TDP2 O95551 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40

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
SCHEMBL1550960 0.83 BIRC5 (0.41) CA12CA1CA2CA9BIRC5
SCHEMBL1550962 0.83 BIRC5 (0.41) CA12CA1CA2CA9BIRC5
Hydrochloric Acid SCHEMBL2158654 0.82 BIRC5 (0.40) CA12CA1CA2CA9BIRC5
Hydrochloric Acid SCHEMBL2158655 0.82 BIRC5 (0.40) CA12CA1CA2CA9BIRC5
SCHEMBL1551599 0.73 BIRC5 (0.41) CA12CA1CA2CA9BIRC5
SCHEMBL2076411 0.72 CA12 (0.48) CA12CA1CA2CA9BIRC5
SCHEMBL32667946 0.72 PDGFRB (0.77) CA12CA1CA2CA9BIRC5
SCHEMBL2772360 0.72 PDGFRB (0.77) CA12CA1CA2CA9BIRC5
Acetic Acid SCHEMBL2158454 0.70 MAP4K4 (0.45) CA12CA1CA2CA9BIRC5
SCHEMBL2198777 0.70 PDGFRB (0.60) CA12CA1CA2CA9BIRC5

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 5 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 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 CA12 3996/4885CA1 3080/4885CA2 1182/4885

“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.