SCHEMBL2076573

SCHEMBL2076573

O=C(NC1c2ccccc2-c2c(-c3ccc(N4CCOCC4)nc3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.57
CNR2 P34972 5/20 0.42
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PDE9A O76083 1/20 0.39
TNKS O95271 1/20 0.39
NR3C1 P04150 1/20 0.39
ATR Q13535 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
TDO2 P48775 1/20 0.38
CYP1A2 P05177 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2605019 0.91 HSP90AB1 (0.58) HSP90AB1TNKS
SCHEMBL2605070 0.86 HSP90AB1 (0.61) HSP90AB1TNKS
SCHEMBL2605106 0.83 HSP90AB1 (0.66) HSP90AB1TNKS
SCHEMBL2605055 0.82 HSP90AB1 (0.65) HSP90AB1TNKS
SCHEMBL2077819 0.82 HSP90AB1 (0.65) HSP90AB1TNKS
SCHEMBL2605076 0.82 HSP90AB1 (0.59) HSP90AB1TNKS
SCHEMBL2605049 0.82 HSP90AB1 (0.56) HSP90AB1TNKS
SCHEMBL2605099 0.81 HSP90AB1 (0.66) HSP90AB1TNKS
SCHEMBL2605077 0.81 HSP90AB1 (0.63) HSP90AB1TNKS
SCHEMBL2605031 0.81 HSP90AB1 (0.63) HSP90AB1BRD4CREBBPTNKS

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 claimed
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 3/4885CNR2 4210/4885BRD4 2803/4885

“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.