SCHEMBL677211

SCHEMBL677211

COc1ncc(Cl)c(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
CCR4 P51679 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
SQOR Q9Y6N5 2/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 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
SCHEMBL16213315 0.79 RECQL (0.45) RECQLGSK3AGSK3BDYRK1ACLK4
SCHEMBL2912781 0.77 ALDH1A1 (0.46) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL15004234 0.77 DAO (0.36) RECQLMAPK1CCR4MAPTKMT2A
SCHEMBL17508470 0.76 SMN1; SMN2 (0.53) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL12140992 0.75 PLAU (0.43) RECQLL3MBTL1CCR4MAPTKMT2A
SCHEMBL3830735 0.74 ALDH1A1 (0.35) L3MBTL1KMT2AALDH1A1POLBKDM4E
SCHEMBL17508469 0.74 PLAU (0.36) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL27973006 0.73 DAO (0.34) RECQLCCR4MAPTKMT2AALDH1A1
SCHEMBL30449816 0.73 MAPK1 (0.51) GSK3AGSK3BDYRK1ACLK4L3MBTL1
SCHEMBL441301 0.73 MAPK1 (0.51) GSK3AGSK3BDYRK1ACLK4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 US disclosed
EP-1679003-B1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA (JP) 2015-04-15 EP disclosed
US-8653113-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8653277-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8609150-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-12-17 US disclosed
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-05-31 US disclosed
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
EP-2338335-A1 Preparation of fungicidal benzoylpyridine derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-29 EP disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP 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 (5 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-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 RECQL 1285/4885GSK3A 4030/4885GSK3B 3788/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH RECQL 985/4885GSK3A 4259/4885GSK3B 4070/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH RECQL 985/4885GSK3A 4259/4885GSK3B 4070/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH RECQL 985/4885GSK3A 4259/4885GSK3B 4070/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH RECQL 985/4885GSK3A 4259/4885GSK3B 4070/4885

“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.