SCHEMBL2080759

SCHEMBL2080759

COc1cc(C)c(CN(C)C(=O)c2cc(-c3ccnn3-c3ccccc3C)c(O)cc2O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.68
HSP90AB1 P08238 9/20 0.55
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2079367 0.92 HSP90AA1 (0.69) HSP90AA1HSP90AB1NPC1
SCHEMBL2079305 0.90 HSP90AA1 (0.67) HSP90AA1HSP90AB1NPC1
SCHEMBL1218650 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1NPC1
SCHEMBL2079168 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL2080012 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1NPC1
SCHEMBL2081204 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL2080013 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1NPC1
SCHEMBL2080017 0.89 HSP90AA1 (0.67) HSP90AA1HSP90AB1MAPT
SCHEMBL2079264 0.88 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL2077784 0.87 HSP90AA1 (0.67) HSP90AA1HSP90AB1

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
EP-2018370-B1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GMBH (DE) 2013-03-27 EP claimed
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US claimed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US claimed
EP-2018370-B1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GMBH (DE) 2013-03-27 EP 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-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885NPC1 1107/4885

“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.