SCHEMBL2079868

SCHEMBL2079868

Cc1ccccc1-n1nccc1-c1cc(C(=O)N(C)Cc2cccc(Br)c2)c(O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.69
HSP90AB1 P08238 9/20 0.53
KMT2A Q03164 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL2078001 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1KMT2APDK1PDK2
SCHEMBL1219124 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1KMT2A
SCHEMBL2080906 0.91 HSP90AA1 (0.76) HSP90AA1HSP90AB1KMT2APDK1PDK2
SCHEMBL2080084 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL2078891 0.89 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL2079326 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1PDK1
SCHEMBL2077553 0.87 HSP90AA1 (0.74) HSP90AA1HSP90AB1KMT2A
SCHEMBL2080398 0.87 HSP90AA1 (0.74) HSP90AA1HSP90AB1KMT2A
SCHEMBL2079392 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1PDK1
SCHEMBL2080377 0.86 HSP90AA1 (0.70) 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 1/4885KMT2A 4243/4885

“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.