SCHEMBL2605054

SCHEMBL2605054

O=C(NC1c2ccccc2-c2c(-c3ccc4sccc4c3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.59
PRKCI P41743 2/20 0.37
NUDT1 P36639 3/20 0.36
CDC7 O00311 1/20 0.35
TNKS O95271 1/20 0.35
AKT1 P31749 2/20 0.33
KDR P35968 1/20 0.33
ACHE P22303 1/20 0.33
GSK3B P49841 1/20 0.33
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
PREP P48147 1/20 0.32
NEK1 Q96PY6 1/20 0.32

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
SCHEMBL2605020 0.86 HSP90AB1 (0.65) HSP90AB1PRKCINUDT1TNKSKDR
SCHEMBL2605039 0.85 HSP90AB1 (0.63) HSP90AB1PRKCINUDT1TNKSKDR
SCHEMBL14202303 0.84 HSP90AB1 (0.42) HSP90AB1PRKCINUDT1CDC7AKT1
SCHEMBL2605025 0.84 HSP90AB1 (0.60) HSP90AB1PRKCINUDT1TNKSKDR
SCHEMBL2079662 0.84 HSP90AB1 (0.66) HSP90AB1NUDT1KDR
SCHEMBL2605098 0.83 HSP90AB1 (0.63) HSP90AB1PRKCINUDT1TNKSKDR
SCHEMBL2605119 0.83 HSP90AB1 (0.61) HSP90AB1PRKCINUDT1TNKSAKT1
SCHEMBL2605056 0.83 HSP90AB1 (0.62) HSP90AB1PRKCINUDT1TNKSKDR
SCHEMBL2605023 0.82 HSP90AB1 (0.58) HSP90AB1PRKCINUDT1TNKSKDR
SCHEMBL2605013 0.82 HSP90AB1 (0.64) HSP90AB1PRKCINUDT1TNKSAKT1

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 1311/4885NUDT1 2755/4885

“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.