SCHEMBL455774

SCHEMBL455774

FC(F)(F)Oc1cccc(-c2c[c]c(C3CC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.42
PIK3CB P42338 1/20 0.42
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
DHODH Q02127 5/20 0.39
GALR1 P47211 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DYRK1A Q13627 1/20 0.38
USP30 Q70CQ3 2/20 0.38
SLC6A7 Q99884 1/20 0.38
MAP4K1 Q92918 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
XDH P47989 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
SCHEMBL456651 0.84 NISCH (0.41) DHODHGALR1
SCHEMBL15064085 0.82 MAOB (0.42) DYRK1AXDH
SCHEMBL455370 0.79 KDM1A (0.47)
SCHEMBL456791 0.79 SLC13A5 (0.41) DHODHGALR1DYRK1ASLC6A7SLC13A5
SCHEMBL17046429 0.78 NISCH (0.35) DHODH
SCHEMBL458527 0.77 DHODH (0.41) DHODHGALR1DYRK1ASLC6A7SLC13A5
SCHEMBL455779 0.77 DHODH (0.41) DHODHGALR1DYRK1ASLC6A7SLC13A5
SCHEMBL15063948 0.77 NPY5R (0.40) DHODHGALR1DYRK1ASLC6A7SLC13A5
SCHEMBL15063560 0.77 DHODH (0.41) PRKDCPIK3CBATMATRATRIP
SCHEMBL15063976 0.77 TAAR1 (0.43)

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 7 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
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US 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 PRKDC 1951/4885PIK3CB 1351/4885ATM 1578/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 PRKDC 1951/4885PIK3CB 1351/4885ATM 1578/4885

“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.