SCHEMBL2605045

SCHEMBL2605045

Cn1cc(-c2cccc3c2-c2ccccc2C3NC(=O)c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.62
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52
TPX2 Q9ULW0 1/20 0.52
TNKS O95271 1/20 0.41
GRM4 Q14833 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NUDT1 P36639 2/20 0.37
GSK3B P49841 3/20 0.37
ACHE P22303 2/20 0.37
CLK2 P49760 2/20 0.37
LRRK2 Q5S007 2/20 0.37
PREP P48147 1/20 0.37
JAK2 O60674 2/20 0.35
BRD4 O60885 1/20 0.35
PDK2 Q15119 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL2605046 0.86 HSP90AB1 (0.58) HSP90AB1TNKSGRM4GSK3BACHE
SCHEMBL2077847 0.84 HSP90AB1 (0.69) HSP90AB1AURKBTNKSNUDT1GSK3B
SCHEMBL2605027 0.84 HSP90AB1 (0.71) HSP90AB1AURKBTNKSNUDT1GSK3B
SCHEMBL2605034 0.84 HSP90AB1 (0.61) HSP90AB1TNKSADRA1ANUDT1GSK3B
SCHEMBL2605106 0.84 HSP90AB1 (0.66) HSP90AB1AURKAAURKBTNKSNUDT1
SCHEMBL2605099 0.84 HSP90AB1 (0.66) HSP90AB1AURKBTNKSNUDT1GSK3B
SCHEMBL2605108 0.83 HSP90AB1 (0.61) HSP90AB1AURKAAURKBINCENPTPX2
SCHEMBL2605031 0.83 HSP90AB1 (0.63) HSP90AB1TNKSNUDT1GSK3BCLK2
SCHEMBL2605037 0.83 HSP90AB1 (0.63) HSP90AB1AURKAAURKBINCENPTPX2
SCHEMBL2077819 0.83 HSP90AB1 (0.65) HSP90AB1AURKAAURKBTNKSNUDT1

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 3/4885AURKA 4237/4885AURKB 4063/4885

“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.