SCHEMBL10244431

SCHEMBL10244431

O=C(NC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.67
NUDT1 P36639 2/20 0.39
HSP90AA1 P07900 5/20 0.39
TNKS O95271 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKCI P41743 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
ACHE P22303 1/20 0.35
GSK3B P49841 1/20 0.35
SERPINE1 P05121 1/20 0.35
PIK3CA P42336 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
SCHEMBL2079662 0.91 HSP90AB1 (0.66) HSP90AB1NUDT1HSP90AA1PDGFRBPDGFRA
SCHEMBL2605039 0.90 HSP90AB1 (0.63) HSP90AB1NUDT1TNKSPRKCIGSK3B
SCHEMBL10246329 0.86 HSP90AB1 (0.49) HSP90AB1HSP90AA1PDGFRBPDGFRAMAP4K4
SCHEMBL2078323 0.86 HSP90AB1 (0.69) HSP90AB1NUDT1TNKSPDGFRBPDGFRA
SCHEMBL2605099 0.85 HSP90AB1 (0.66) HSP90AB1NUDT1TNKSPDGFRBPDGFRA
SCHEMBL2605106 0.85 HSP90AB1 (0.66) HSP90AB1NUDT1TNKSPDGFRBPDGFRA
SCHEMBL2605020 0.85 HSP90AB1 (0.65) HSP90AB1NUDT1TNKSPRKCI
SCHEMBL2605093 0.85 HSP90AB1 (0.65) HSP90AB1NUDT1TNKSPRKCIMAP4K4
SCHEMBL2605055 0.85 HSP90AB1 (0.65) HSP90AB1NUDT1TNKSPDGFRBPDGFRA
SCHEMBL2077819 0.85 HSP90AB1 (0.65) HSP90AB1NUDT1TNKSPDGFRBPDGFRA

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-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
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 WO 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 3/4885NUDT1 2755/4885HSP90AA1 5/4885

“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.