SCHEMBL1629137

SCHEMBL1629137

Oc1cc(O)c(-c2ccnn2-c2ccccc2F)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 1.00
NR3C2 P08235 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
KCNN4 O15554 1/20 0.40
MAPK14 Q16539 1/20 0.39
PDE10A Q9Y233 3/20 0.37
PDE11A Q9HCR9 1/20 0.34
PIK3CD O00329 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL1631608 0.84 HSP90AA1 (0.72) HSP90AA1NR3C2SMN1; SMN2KCNN4MAPK14
SCHEMBL1628953 0.84 HSP90AA1 (0.72) HSP90AA1NR3C2MAPK14PDE11AKDM5A
SCHEMBL625870 0.81 HSP90AA1 (0.68) HSP90AA1NR3C2SMN1; SMN2KCNN4MAPK14
SCHEMBL1630437 0.81 HSP90AA1 (0.67) HSP90AA1NR3C2SMN1; SMN2MAPK14PDE10A
SCHEMBL1629941 0.81 HSP90AA1 (0.67) HSP90AA1NR3C2SMN1; SMN2MAPK14PDE10A
SCHEMBL1629661 0.79 HSP90AA1 (0.65) HSP90AA1NR3C2SMN1; SMN2MAPK14PDE10A
SCHEMBL1629188 0.78 HSP90AA1 (0.63) HSP90AA1NR3C2SMN1; SMN2KCNN4MAPK14
SCHEMBL1630001 0.78 HSP90AA1 (0.63) HSP90AA1NR3C2SMN1; SMN2KCNN4MAPK14
SCHEMBL1629186 0.78 HSP90AA1 (0.63) HSP90AA1NR3C2SMN1; SMN2KCNN4MAPK14
SCHEMBL1629098 0.78 HSP90AA1 (0.63) HSP90AA1NR3C2SMN1; SMN2MAPK14PDE10A

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 6 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-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

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 558/4885SMN1; SMN2 3103/4885

“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.