SCHEMBL1629073

SCHEMBL1629073

COc1ccc(-c2ccnn2-c2ccccc2Cl)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
MAPT P10636 3/20 0.47
NR3C2 P08235 1/20 0.42
SLC16A3 O15427 2/20 0.41
NPC1 O15118 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC16A1 P53985 1/20 0.40
NOTUM Q6P988 1/20 0.40
IDH1 O75874 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL1215371 0.88 MAPT (0.47) HSP90AA1MAPTNR3C2NPC1PTPN1
SCHEMBL1629071 0.86 MAPT (0.45) HSP90AA1MAPTNPC1PTPN1MEN1
SCHEMBL1629812 0.85 HSP90AA1 (0.56) HSP90AA1NR3C2MEN1KMT2AMAPK14
SCHEMBL1629665 0.85 KDM4E (0.47) HSP90AA1MAPTNPC1MEN1KMT2A
SCHEMBL1627411 0.85 NPC1 (0.44) HSP90AA1MAPTNR3C2NPC1PTPN1
SCHEMBL1630519 0.85 HSP90AA1 (0.60) HSP90AA1MAPTNR3C2SLC16A3NPC1
SCHEMBL1629689 0.84 HSP90AA1 (0.42) HSP90AA1MAPTNR3C2NPC1PTPN1
SCHEMBL1630238 0.82 MAPT (0.51) HSP90AA1MAPTNR3C2NPC1PTPN1
SCHEMBL1629703 0.82 MAPT (0.42) MAPTNPC1MEN1KMT2ANOTUM
SCHEMBL1629090 0.81 HSP90AA1 (0.57) HSP90AA1NR3C2KMT2AMAPK14

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
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 2/4885MAPT 2299/4885NR3C2 558/4885

“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.