SCHEMBL2605024

SCHEMBL2605024

Cn1ccc2cc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.58
TNKS O95271 1/20 0.38
DPP4 P27487 1/20 0.37
PRKCI P41743 2/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
PFKFB3 Q16875 3/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NUDT1 P36639 1/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34

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 0.85 HSP90AB1 (0.65) HSP90AB1TNKSPRKCICCNCCDK8
SCHEMBL2605039 0.83 HSP90AB1 (0.63) HSP90AB1TNKSPRKCICCNCCDK8
SCHEMBL2605056 0.83 HSP90AB1 (0.62) HSP90AB1TNKSPRKCICCNCCDK8
SCHEMBL2605025 0.83 HSP90AB1 (0.60) HSP90AB1TNKSPRKCICDK8NUDT1
SCHEMBL2079662 0.82 HSP90AB1 (0.66) HSP90AB1CCNCCDK8NUDT1
SCHEMBL2605054 0.82 HSP90AB1 (0.59) HSP90AB1TNKSPRKCINUDT1
SCHEMBL2605013 0.81 HSP90AB1 (0.64) HSP90AB1TNKSPRKCICDK8NUDT1
SCHEMBL2605027 0.81 HSP90AB1 (0.71) HSP90AB1TNKSPRKCICDK8NUDT1
SCHEMBL2605045 0.81 HSP90AB1 (0.62) HSP90AB1TNKSNUDT1BRD4
SCHEMBL10244431 0.81 HSP90AB1 (0.67) HSP90AB1TNKSPRKCINUDT1

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 3/4885TNKS 3162/4885DPP4 4804/4885

“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.