SCHEMBL1629558

SCHEMBL1629558

COc1ccc(-c2ccnn2-c2ccc(N)cc2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CYP2C9 P11712 1/20 0.46
NPC1 O15118 2/20 0.46
NR3C2 P08235 1/20 0.46
PTGS2 P35354 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NOTUM Q6P988 1/20 0.42
FGFR1 P11362 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
PTK2B Q14289 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL1629669 0.92 MAPT (0.60) MAPTNPC1NR3C2NPSR1NOTUM
SCHEMBL1629194 0.88 MAPT (0.53) MAPTNPC1NR3C2NPSR1NOTUM
SCHEMBL1629692 0.87 MAPT (0.52) MAPTCYP2C9NR3C2PTGS2NPSR1
SCHEMBL1630221 0.87 MAPT (0.58) MAPTCYP2C9NPC1NR3C2PTGS2
SCHEMBL1628844 0.87 MAPT (0.52) MAPTNPC1NR3C2PTGS2NPSR1
SCHEMBL1630238 0.86 MAPT (0.51) MAPTNPC1NR3C2NPSR1NOTUM
SCHEMBL1628961 0.85 CA1 (0.52) MAPTPTGS2
SCHEMBL1630310 0.85 MEN1 (0.40) MAPTNR3C2MAPK10ALDH1A1MEN1
SCHEMBL1630086 0.84 NPSR1 (0.52) MAPTNPC1NPSR1NOTUMLMNA
SCHEMBL1629700 0.84 MAPT (0.49) MAPTNPC1NR3C2NPSR1NOTUM

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 MAPT 2299/4885CYP2C9 1687/4885NPC1 855/4885

“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.