SCHEMBL1219192

SCHEMBL1219192

CN(Cc1ccncc1)C(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.60
HSP90AB1 P08238 5/20 0.46
PDK1 Q15118 1/20 0.43

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
SCHEMBL1219136 0.94 HSP90AA1 (0.61) HSP90AA1HSP90AB1PDK1
SCHEMBL2080816 0.92 HSP90AA1 (0.61) HSP90AA1HSP90AB1PDK1
SCHEMBL2079717 0.91 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDK1
SCHEMBL1218818 0.90 HSP90AA1 (0.57) HSP90AA1HSP90AB1PDK1
SCHEMBL2077553 0.90 HSP90AA1 (0.74) HSP90AA1HSP90AB1
SCHEMBL2080007 0.89 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL1216401 0.89 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL2076846 0.89 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL2081512 0.88 HSP90AA1 (0.61) HSP90AA1HSP90AB1PDK1
SCHEMBL2077941 0.88 HSP90AA1 (0.59) 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 7 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
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS EGGENWEILER HANS-MICHAEL 2011-02-03 US disclosed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 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 (2 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 1/4885PDK1 336/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 336/4885

“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.