SCHEMBL534143

SCHEMBL534143

O=C(C#CCOC1CCCCO1)C(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GCK P35557 1/20 0.32
GRM5 P41594 1/20 0.32
RORC P51449 2/20 0.31

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
SCHEMBL3040756 0.91 MEN1 (0.36) MEN1KMT2AGCKGRM5RORC
SCHEMBL3763828 0.87 MEN1 (0.39) MEN1KMT2AGCKGRM5RORC
SCHEMBL3149260 0.85 MEN1 (0.38) MEN1KMT2AGCKGRM5RORC
SCHEMBL24167283 0.84 MEN1 (0.44) MEN1KMT2AGCKGRM5RORC
SCHEMBL1412531 0.82 MEN1 (0.39) MEN1KMT2AGCKGRM5RORC
SCHEMBL15273799 0.81 MEN1 (0.39) MEN1KMT2AGCKGRM5RORC
SCHEMBL1412418 0.79 MEN1 (0.38) MEN1KMT2AGCKGRM5
SCHEMBL10576592 0.79 MEN1 (0.38) MEN1KMT2AGCKGRM5
SCHEMBL7188169 0.78 MEN1 (0.37) MEN1KMT2AGCKGRM5
SCHEMBL1513547 0.77 MEN1 (0.36) MEN1KMT2AGCKGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340526-B2 Process for preparing pyridyl-substituted pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-17 US disclosed
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-09 US disclosed
US-8987460-B2 Process for preparing pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
EP-2414345-B1 Method for manufacturing Pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2014-09-17 EP disclosed
US-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
US-8362261-B2 Process for preparing pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2013-01-29 US disclosed
US-20120136156-A2 PROCESS FOR PREPARING PYRIDYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AG (DE) 2012-05-31 US disclosed
EP-2414345-A1 METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES Bayer CropScience AG (DE) 2012-02-08 EP disclosed
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
EP-2243777-A1 Method for manufacturing Pyridyl-substituted pyrazoles Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2010112178-A1 METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-10-07 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 (4 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-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 MEN1 3529/4885KMT2A 3361/4885GCK 29/4885
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 MEN1 3529/4885KMT2A 3361/4885GCK 29/4885
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 MEN1 3529/4885KMT2A 3361/4885GCK 29/4885
US-20120136156-A2 PROCESS FOR PREPARING PYRIDYL-SUBSTITUTED PYRAZOLES PDXK, PLK2, WNK3 MEN1 3529/4885KMT2A 3361/4885GCK 29/4885

“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.