SCHEMBL2605083

SCHEMBL2605083

O=C(NC1c2ccccc2-c2c(-c3ccc4nonc4c3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.61
PRKCI P41743 3/20 0.38
TNKS O95271 1/20 0.38
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
NUDT1 P36639 3/20 0.37
FABP4 P15090 3/20 0.36
TDO2 P48775 1/20 0.36
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
ACHE P22303 1/20 0.33
GSK3B P49841 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
SCHEMBL2605119 0.88 HSP90AB1 (0.61) HSP90AB1PRKCITNKSCCNKCDK12
SCHEMBL2605039 0.86 HSP90AB1 (0.63) HSP90AB1PRKCITNKSCCNKCDK12
SCHEMBL2605020 0.84 HSP90AB1 (0.65) HSP90AB1PRKCITNKSNUDT1
SCHEMBL2605056 0.84 HSP90AB1 (0.62) HSP90AB1PRKCITNKSNUDT1IKBKB
SCHEMBL2605025 0.84 HSP90AB1 (0.60) HSP90AB1PRKCITNKSNUDT1FABP4
SCHEMBL2605023 0.84 HSP90AB1 (0.58) HSP90AB1PRKCITNKSNUDT1GSK3B
SCHEMBL2605013 0.84 HSP90AB1 (0.64) HSP90AB1PRKCITNKSNUDT1IKBKB
SCHEMBL2605027 0.84 HSP90AB1 (0.71) HSP90AB1PRKCITNKSNUDT1IKBKB
SCHEMBL2605106 0.83 HSP90AB1 (0.66) HSP90AB1PRKCITNKSNUDT1IKBKB
SCHEMBL2077819 0.82 HSP90AB1 (0.65) HSP90AB1PRKCITNKSNUDT1IKBKB

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 3/4885PRKCI 1311/4885TNKS 3162/4885

“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.