SCHEMBL406855

SCHEMBL406855

FC(F)(F)c1ccc2n[c]ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
METAP2 P50579 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PKM P14618 1/20 0.37
NPBWR1 P48145 4/20 0.36
DGAT1 O75907 3/20 0.35
KCNH2 Q12809 3/20 0.35
CCNE2 O96020 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PDE10A Q9Y233 1/20 0.34
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 1/20 0.33
CBFB Q13951 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
SCHEMBL407150 0.86 BACE1 (0.46) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL2303171 0.82 SCN10A (0.38) BACE1METAP2PKMKCNH2CDK2
SCHEMBL407073 0.76 BACE1 (0.46) BACE1KDM4EPKM
SCHEMBL30876113 0.75 BACE1 (0.50) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL20660632 0.75 BACE1 (0.50) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL407917 0.73 BACE1 (0.51) BACE1KDM4EEPHX2SCN4AMETAP2
SCHEMBL404311 0.72 HTR3A (0.41) BACE1KDM4EHRH3DYRK1A
SCHEMBL2304767 0.72 CYP1A2 (0.48) BACE1KDM4E
SCHEMBL16174440 0.72 BACE1 (0.46) BACE1KDM4EMETAP2DYRK1A
SCHEMBL5683013 0.71 BACE1 (0.59) BACE1EPHX2SCN4ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-11958840-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2024-04-16 US disclosed
US-20230114472-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2023-04-13 US disclosed
EP-3923935-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2021-12-22 EP disclosed
CN-113518618-A Compounds, compositions and methods 戴纳立制药公司 2021-10-19 CN disclosed
US-20210292311-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2021-09-23 US disclosed
WO-2020168011-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2020-08-20 WO disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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 (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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885KDM4E 1092/4885EPHX2 154/4885
US-11958840-B2 Compounds, compositions and methods EIF4EBP1, EIF4B, EIF4E BACE1 3789/4885KDM4E 2319/4885EPHX2 1206/4885
US-20230114472-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E BACE1 3789/4885KDM4E 2319/4885EPHX2 1206/4885
US-20210292311-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E BACE1 3789/4885KDM4E 2319/4885EPHX2 1206/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885KDM4E 1092/4885EPHX2 154/4885

“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.