SCHEMBL1733728

SCHEMBL1733728

COc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.66
HSP90AB1 P08238 16/20 0.65
PDK1 Q15118 1/20 0.51

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
SCHEMBL1733412 0.92 HSP90AA1 (0.72) HSP90AA1HSP90AB1
SCHEMBL1733281 0.92 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL1733794 0.92 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL1732979 0.91 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL1734020 0.91 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL1734322 0.90 HSP90AA1 (0.74) HSP90AA1HSP90AB1
SCHEMBL1733603 0.89 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL1733415 0.89 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL1734354 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL1733773 0.89 HSP90AA1 (0.69) 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
US-8722903-B2 Indazole derivatives for the treatment of HSP9O-induced diseases MERCK PATENT GMBH (DE) 2014-05-13 US claimed
EP-2035391-B1 INDAZOLE DERIVATIVES FOR TREATING HSP90-INDUCED DISEASES MERCK PATENT GMBH (DE) 2011-11-23 EP claimed
US-20090197882-A1 INDAZOLE DERIVATIVES FOR THE TREATMENT OF HSP90-INDUCED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US claimed
EP-2035391-B1 INDAZOLE DERIVATIVES FOR TREATING HSP90-INDUCED DISEASES MERCK PATENT GMBH (DE) 2011-11-23 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-20090197882-A1 INDAZOLE DERIVATIVES FOR THE TREATMENT OF HSP90-INDUCED DISEASES HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 843/4885

“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.