SCHEMBL2605076

SCHEMBL2605076

O=C(NC1c2ccccc2-c2c(-c3cnc(N4CCNCC4)nc3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.59
ROCK2 O75116 3/20 0.39
TNKS O95271 1/20 0.38
ACHE P22303 2/20 0.37
GSK3B P49841 2/20 0.37
PREP P48147 1/20 0.37
ROCK1 Q13464 2/20 0.36
FEN1 P39748 1/20 0.36
USP7 Q93009 2/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
NUDT1 P36639 1/20 0.35
TNF P01375 1/20 0.33
HTR2C P28335 1/20 0.33

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) HSP90AB1ROCK2TNKSACHEGSK3B
SCHEMBL2605072 0.90 HSP90AB1 (0.56) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2605049 0.88 HSP90AB1 (0.56) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2605087 0.85 HSP90AB1 (0.54) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2605099 0.84 HSP90AB1 (0.66) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2077847 0.83 HSP90AB1 (0.69) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2605106 0.83 HSP90AB1 (0.66) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2605070 0.82 HSP90AB1 (0.61) HSP90AB1TNKSACHEGSK3BPREP
SCHEMBL2076573 0.82 HSP90AB1 (0.57) HSP90AB1TNKS
SCHEMBL2605037 0.82 HSP90AB1 (0.63) HSP90AB1TNKSACHEGSK3BPREP

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 3/4885ROCK2 1339/4885TNKS 3162/4885

“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.