SCHEMBL2605053

SCHEMBL2605053

CN1CCOc2cc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.52
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
POLQ O75417 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HDAC4 P56524 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
TNKS O95271 1/20 0.39
NUDT1 P36639 1/20 0.38
PRKCI P41743 1/20 0.37
GRM5 P41594 1/20 0.36
NOTUM Q6P988 1/20 0.35
WDR5 P61964 1/20 0.35
PTGER3 P43115 1/20 0.35
SYK P43405 1/20 0.35
ACHE P22303 1/20 0.34
GSK3B P49841 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
SCHEMBL2605023 0.88 HSP90AB1 (0.58) HSP90AB1ROCK2ROCK1TNKSNUDT1
SCHEMBL2605040 0.84 HSP90AB1 (0.56) HSP90AB1TNKSNUDT1PRKCI
SCHEMBL2605056 0.80 HSP90AB1 (0.62) HSP90AB1ROCK1TNKSNUDT1PRKCI
SCHEMBL2605045 0.79 HSP90AB1 (0.62) HSP90AB1TNKSNUDT1ACHEGSK3B
SCHEMBL2605024 0.79 HSP90AB1 (0.58) HSP90AB1TNKSNUDT1PRKCI
SCHEMBL2605034 0.79 HSP90AB1 (0.61) HSP90AB1TNKSNUDT1ACHEGSK3B
SCHEMBL2605052 0.79 HSP90AB1 (0.57) HSP90AB1POLQTNKSNUDT1PRKCI
SCHEMBL2605083 0.79 HSP90AB1 (0.61) HSP90AB1TNKSNUDT1PRKCIACHE
SCHEMBL2076573 0.79 HSP90AB1 (0.57) HSP90AB1TNKS
SCHEMBL2605020 0.78 HSP90AB1 (0.65) HSP90AB1POLQTNKSNUDT1PRKCI

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 1339/4885ROCK1 1540/4885

“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.