SCHEMBL2605079

SCHEMBL2605079

O=C(NC1c2ccccc2-c2c(-c3cncc(-c4nnn[nH]4)c3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.61
ACHE P22303 4/20 0.36
GSK3B P49841 3/20 0.36
TNKS O95271 1/20 0.36
NUDT1 P36639 3/20 0.35
PRKCI P41743 1/20 0.33
AKT1 P31749 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
NTRK1 P04629 1/20 0.31
PREP P48147 1/20 0.31
ROCK2 O75116 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL2605093 0.86 HSP90AB1 (0.65) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2605022 0.85 HSP90AB1 (0.64) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2605082 0.84 HSP90AB1 (0.59) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2077847 0.84 HSP90AB1 (0.69) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2605102 0.83 HSP90AB1 (0.62) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2605027 0.82 HSP90AB1 (0.71) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2079662 0.81 HSP90AB1 (0.66) HSP90AB1NUDT1AURKBROCK2
SCHEMBL10244431 0.80 HSP90AB1 (0.67) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2605099 0.80 HSP90AB1 (0.66) HSP90AB1ACHEGSK3BTNKSNUDT1
SCHEMBL2605106 0.80 HSP90AB1 (0.66) HSP90AB1ACHEGSK3BTNKSNUDT1

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 3/4885ACHE 4827/4885GSK3B 4276/4885

“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.