SCHEMBL23116014

SCHEMBL23116014

O=C(NNc1cnc(-c2ccc(OCc3ccccc3)nc2)cn1)C(F)(F)Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.45
CYP1A2 P05177 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
FFAR1 O14842 1/20 0.40
HDAC1 Q13547 1/20 0.39
JAK3 P52333 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
ADAMTS4 O75173 1/20 0.37
EPHX2 P34913 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
TPH1 P17752 1/20 0.36
GRM5 P41594 1/20 0.36
SLC2A1 P11166 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
SCHEMBL31339063 1.00 CXCR2 (0.45) CXCR2CYP1A2MRGPRX4FFAR1HDAC1
SCHEMBL31339062 0.84 CYP1A2 (0.38) CXCR2CYP1A2MRGPRX4
SCHEMBL23116075 0.84 CYP1A2 (0.38) CXCR2CYP1A2MRGPRX4
SCHEMBL26031183 0.83 CYP1A2 (0.44) CYP1A2ACACB
SCHEMBL23414102 0.81 CYP1A2 (0.40) CYP1A2ADAMTS4
SCHEMBL23414155 0.81 CYP1A2 (0.42) CYP1A2
SCHEMBL30884070 0.79 LOXL2 (0.46) CXCR2FFAR1HDAC1JAK3BRD4
SCHEMBL23116018 0.79 LOXL2 (0.46) CXCR2FFAR1HDAC1JAK3BRD4
SCHEMBL23116049 0.79 CYP1A2 (0.42) CYP1A2
SCHEMBL23116052 0.79 CYP1A2 (0.42) CYP1A2

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
EP-4487916-A2 ION CHANNEL MODULATORS Praxis Precision Medicines, Inc. (US) 2025-01-08 EP disclosed
US-20240132501-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. (US) 2024-04-25 US disclosed
US-11866439-B2 Ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2024-01-09 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-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-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-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
EP-3801535-A1 ION CHANNEL MODULATORS Praxis Precision Medicines, Inc. (US) 2021-04-14 EP disclosed
US-20210087197-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-03-25 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 (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 CXCR2 4237/4885CYP1A2 3672/4885MRGPRX4 1711/4885
US-20240132501-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CXCR2 4447/4885CYP1A2 2873/4885MRGPRX4 2373/4885
US-20220220118-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CXCR2 4447/4885CYP1A2 2873/4885MRGPRX4 2373/4885
US-20210087197-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CXCR2 4447/4885CYP1A2 2873/4885MRGPRX4 2373/4885
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 CXCR2 4244/4885CYP1A2 3699/4885MRGPRX4 1673/4885
US-11866439-B2 Ion channel modulators SCN1A, SCN3A, SCN2A CXCR2 4447/4885CYP1A2 2873/4885MRGPRX4 2373/4885
US-20210163488-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CXCR2 4447/4885CYP1A2 2873/4885MRGPRX4 2373/4885
US-20220024930-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CXCR2 4447/4885CYP1A2 2873/4885MRGPRX4 2373/4885
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 CXCR2 4288/4885CYP1A2 2631/4885MRGPRX4 2084/4885

“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.