SCHEMBL420055

SCHEMBL420055

N#Cc1ccc(-n2ncc3c(-c4cnc5ccccc5c4)cccc32)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
NR3C1 P04150 1/20 0.41
BIRC5 O15392 1/20 0.38
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
PTGES O14684 1/20 0.34
AR P10275 1/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
PIK3C2A O00443 2/20 0.33
PIK3C2B O00750 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PRKDC P78527 2/20 0.33
ATM Q13315 2/20 0.33
MET P08581 2/20 0.33
CHEK1 O14757 1/20 0.33
ABCB11 O95342 1/20 0.33
CSF1R P07333 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
SCHEMBL421857 0.85 HSP90AA1 (0.51) HSP90AA1NR3C1BIRC5PDGFRBPDGFRA
SCHEMBL950675 0.84 HSP90AA1 (0.49) HSP90AA1NR3C1BIRC5PDGFRBPDGFRA
SCHEMBL951332 0.83 BIRC5 (0.37) HSP90AA1BIRC5PDGFRBPDGFRAAR
SCHEMBL2183124 0.82 BIRC5 (0.38) HSP90AA1NR3C1BIRC5PDGFRBPDGFRA
SCHEMBL425541 0.82 HSP90AA1 (0.51) HSP90AA1BIRC5ABCG2NPC1MAPT
SCHEMBL2183119 0.82 BIRC5 (0.37) HSP90AA1NR3C1BIRC5PDGFRBPDGFRA
SCHEMBL422414 0.81 BIRC5 (0.41) BIRC5PDGFRBPDGFRAARPIK3CA
SCHEMBL1394564 0.80 HSP90AA1 (0.46) HSP90AA1NR3C1BIRC5ARNPC1
SCHEMBL1395324 0.79 HSP90AA1 (0.74) HSP90AA1
SCHEMBL1395321 0.79 HSP90AA1 (0.74) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102439003-A Indazole derivatives inhibiting HSP90, compositions containing said derivatives and uses thereof SANOFI AVENTIS 2012-05-02 CN disclosed
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 EP disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 US disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885NR3C1 34/4885BIRC5 2120/4885

“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.