SCHEMBL2605097

SCHEMBL2605097

O=C(NC1c2ccccc2-c2c(-c3ccc(-c4ccccn4)s3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.61
PRKCI P41743 2/20 0.42
NUDT1 P36639 2/20 0.38
AKT1 P31749 2/20 0.38
TNKS O95271 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL2605041 0.91 HSP90AB1 (0.62) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605080 0.88 HSP90AB1 (0.59) HSP90AB1NUDT1AKT1TNKSDAPK3
SCHEMBL2605048 0.88 HSP90AB1 (0.59) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605078 0.87 HSP90AB1 (0.58) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605062 0.87 HSP90AB1 (0.62) HSP90AB1NUDT1AKT1TNKSPREP
SCHEMBL2605110 0.86 HSP90AB1 (0.57) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605017 0.86 HSP90AB1 (0.59) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605082 0.85 HSP90AB1 (0.59) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605104 0.85 HSP90AB1 (0.58) HSP90AB1PRKCINUDT1AKT1TNKS
SCHEMBL2605051 0.85 HSP90AB1 (0.68) HSP90AB1PRKCINUDT1TNKSHSD17B2

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.