SCHEMBL425958

SCHEMBL425958

N#Cc1ccc(-n2nc(C(F)(F)F)c3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(O)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.64

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
SCHEMBL425959 1.00 HSP90AA1 (0.64) HSP90AA1
SCHEMBL2697014 0.91 HSP90AA1 (0.77) HSP90AA1
SCHEMBL2697017 0.91 HSP90AA1 (0.77) HSP90AA1
SCHEMBL420426 0.89 HSP90AA1 (0.75) HSP90AA1
SCHEMBL420425 0.89 HSP90AA1 (0.75) HSP90AA1
SCHEMBL458829 0.86 HSP90AA1 (0.84) HSP90AA1
SCHEMBL13190077 0.86 HSP90AA1 (0.84) HSP90AA1
SCHEMBL458828 0.86 HSP90AA1 (0.84) HSP90AA1
SCHEMBL422924 0.85 HSP90AA1 (0.70) HSP90AA1
SCHEMBL13190079 0.85 HSP90AA1 (0.70) 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 3/4885

“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.