SCHEMBL20203852

SCHEMBL20203852

COC(F)(F)c1nnc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nn12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.56
SCN5A Q14524 1/20 0.42
MET P08581 11/20 0.40
CYP3A4 P08684 3/20 0.39
DGAT1 O75907 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL20203751 0.91 CYP1A2 (0.68) CYP1A2SCN5AMETDGAT1
SCHEMBL23116155 0.90 CYP1A2 (0.54) CYP1A2SCN5AMETDGAT1
SCHEMBL26539275 0.90 CYP1A2 (0.58) CYP1A2SCN5AMETCYP3A4DGAT1
SCHEMBL20204023 0.88 CYP1A2 (0.58) CYP1A2SCN5AMETDGAT1
SCHEMBL23116072 0.85 CYP1A2 (0.50) CYP1A2METCYP3A4
SCHEMBL23116001 0.85 CYP1A2 (0.43) CYP1A2SCN5AMET
SCHEMBL23116047 0.85 CYP1A2 (0.51) CYP1A2SCN5AMETCYP3A4RIPK1
SCHEMBL31308496 0.85 CYP1A2 (0.51) CYP1A2SCN5AMETCYP3A4RIPK1
SCHEMBL23116143 0.84 CYP1A2 (0.42) CYP1A2SCN5AMET
SCHEMBL23116017 0.84 CYP1A2 (0.42) CYP1A2SCN5AMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211856-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed
WO-2023211852-A1 TREATMENT OF NEUROLOGICAL DISORDERS PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-11731978-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731976-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731976-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731978-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20220220118-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2022-07-14 US disclosed
US-20220024930-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2022-01-27 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210163488-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-06-03 US disclosed
US-11014931-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine as an ion channel modulator PRAXIS PRECISION MEDICINES, INC. (US) 2021-05-25 US disclosed
US-20210087197-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-03-25 US disclosed
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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 (9 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-11731978-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator SCN1A, SCN3A, CACNA1F CYP1A2 3672/4885SCN5A 8/4885MET 4004/4885
US-20220220118-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885MET 3989/4885
US-20210087197-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885MET 3989/4885
US-11731976-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine as an ion channel modulator SCN1A, SCN3A, CACNA1F CYP1A2 3699/4885SCN5A 8/4885MET 4037/4885
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885MET 3724/4885
US-20210163488-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885MET 3989/4885
US-20220024930-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885MET 3989/4885
US-11014931-B2 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine as an ion channel modulator SCN3A, SCN1A, SCN5A CYP1A2 2631/4885SCN5A 3/4885MET 3899/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885MET 3724/4885

“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.