SCHEMBL456803

SCHEMBL456803

CCc1[c]cc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.38
TSHR P16473 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CHRNA7 P36544 1/20 0.37
LMNA P02545 1/20 0.37
NOTUM Q6P988 1/20 0.37
SCN5A Q14524 3/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL457655 0.89 KIF11 (0.41) KIF11HRH2HRH1TSHRMMP2
SCHEMBL7169334 0.86 TSHR (0.38) HRH2HRH1TSHRLMNAL3MBTL1
SCHEMBL456996 0.84 CTSS (0.44) SCN10A
SCHEMBL15063892 0.80 ESR2 (0.44) HRH2HRH1
SCHEMBL15063724 0.78 KIF11 (0.44) KIF11
SCHEMBL457242 0.78 KIF11 (0.45) KIF11HRH2HRH1SCN10ANOTUM
SCHEMBL15064092 0.77 EGFR (0.37) TSHRNOTUML3MBTL1NISCH
SCHEMBL2056279 0.77 TSHR (0.53) KIF11TSHRMMP2MMP9MMP8
SCHEMBL9425434 0.77 TSHR (0.53) KIF11TSHRMMP2MMP9MMP8
SCHEMBL457663 0.76 KIF11 (0.42) KIF11NOTUMSCN5AAURKATPX2

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-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KIF11 2572/4885HRH2 2739/4885HRH1 2734/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KIF11 2572/4885HRH2 2739/4885HRH1 2734/4885

“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.