SCHEMBL1630516

SCHEMBL1630516

Oc1cc(O)c(-c2ccnn2-c2ccccc2Cl)cc1CCc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.70
NR3C2 P08235 2/20 0.39
HSP90AB1 P08238 4/20 0.37
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36

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
SCHEMBL1630555 0.92 HSP90AA1 (0.74) HSP90AA1NR3C2HSP90AB1KDM5AKDM4C
SCHEMBL1630033 0.90 HSP90AA1 (0.72) HSP90AA1NR3C2HSP90AB1KDM5AKDM4C
SCHEMBL1629991 0.89 HSP90AA1 (0.68) HSP90AA1NR3C2HSP90AB1
SCHEMBL1628956 0.87 HSP90AA1 (0.73) HSP90AA1NR3C2HSP90AB1
SCHEMBL1630240 0.84 HSP90AA1 (0.72) HSP90AA1NR3C2HSP90AB1
SCHEMBL1629245 0.83 HSP90AA1 (1.00) HSP90AA1NR3C2
SCHEMBL1628966 0.82 HSP90AA1 (0.56) HSP90AA1NR3C2KDM5AKDM4CKDM5B
SCHEMBL1629661 0.82 HSP90AA1 (0.65) HSP90AA1NR3C2HSP90AB1KDM5AKDM4C
SCHEMBL1629086 0.82 HSP90AA1 (0.66) HSP90AA1NR3C2HSP90AB1
SCHEMBL1630601 0.82 HSP90AA1 (0.63) HSP90AA1NR3C2KDM5AKDM4CKDM5B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP claimed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US claimed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP claimed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 WO claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US disclosed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP disclosed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 WO 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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885NR3C2 558/4885HSP90AB1 1/4885

“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.