SCHEMBL2605026

SCHEMBL2605026

O=C(NC1c2ccccc2-c2c(-c3cccc4cnccc34)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.72
IKBKE Q14164 2/20 0.42
TBK1 Q9UHD2 2/20 0.42
NUDT1 P36639 4/20 0.41
TNKS O95271 1/20 0.38
GSK3B P49841 3/20 0.36
ACHE P22303 2/20 0.36
POLQ O75417 1/20 0.36
DYRK1B Q9Y463 2/20 0.36
IGF1R P08069 1/20 0.36
CDK2 P24941 1/20 0.36
PRKCI P41743 1/20 0.35
PREP P48147 1/20 0.35
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 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
SCHEMBL2605038 0.94 HSP90AB1 (0.69) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL2605018 0.87 HSP90AB1 (0.70) HSP90AB1NUDT1TNKSGSK3BACHE
SCHEMBL2605027 0.87 HSP90AB1 (0.71) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL2605014 0.86 HSP90AB1 (0.66) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL2077847 0.85 HSP90AB1 (0.69) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL2605051 0.84 HSP90AB1 (0.68) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL13437202 0.84 HSP90AB1 (1.00) HSP90AB1NUDT1TNKSGSK3BACHE
SCHEMBL3556400 0.83 HSP90AB1 (0.67) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL2606627 0.83 HSP90AB1 (0.67) HSP90AB1IKBKETBK1NUDT1TNKS
SCHEMBL3556403 0.83 HSP90AB1 (0.67) HSP90AB1IKBKETBK1NUDT1TNKS

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
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 HSP90AB1 3/4885IKBKE 2193/4885TBK1 3859/4885

“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.