SCHEMBL1629090

SCHEMBL1629090

Oc1cc(F)ccc1-c1ccnn1-c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.57
NR3C2 P08235 3/20 0.45
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAPK14 Q16539 4/20 0.39
MAPK11 Q15759 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
HSD11B1 P28845 1/20 0.38
KCNN4 O15554 1/20 0.36
G6PD P11413 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL1629812 0.86 HSP90AA1 (0.56) HSP90AA1NR3C2MAPK14KMT2A
SCHEMBL1630437 0.86 HSP90AA1 (0.67) HSP90AA1NR3C2KDM4AKDM5AKDM4C
SCHEMBL1631449 0.85 HSP90AA1 (0.41) HSP90AA1NR3C2KDM4AKDM5AKDM4C
SCHEMBL1630413 0.82 HSP90AA1 (0.49) HSP90AA1NR3C2KDM4AKDM5AKDM4C
SCHEMBL1631440 0.82 HSP90AA1 (0.49) HSP90AA1NR3C2KDM4AKDM5AKDM4C
SCHEMBL1630151 0.81 HSP90AA1 (0.40) HSP90AA1NR3C2KDM4AKDM5AKDM4C
SCHEMBL1629073 0.81 HSP90AA1 (0.51) HSP90AA1NR3C2MAPK14KMT2A
SCHEMBL1628566 0.80 HSP90AA1 (0.49) HSP90AA1NR3C2KDM4AKDM5AKDM4C
SCHEMBL1630516 0.80 HSP90AA1 (0.70) HSP90AA1NR3C2KDM5AKDM4CKDM5B
SCHEMBL27675266 0.79 HSP90AA1 (0.52) 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 9 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-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US claimed
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN 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
CN-101006061-A 1,5-diphenylpyrazoles MERCK PATENT GMBH (DE) 2007-07-25 CN 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 558/4885KDM4A 3949/4885

“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.