SCHEMBL23116018

SCHEMBL23116018

NNc1cnc(-c2ccc(OCc3ccccc3)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
CXCR2 P25025 1/20 0.46
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
FFAR1 O14842 1/20 0.42
PKM P14618 1/20 0.42
ALOX5AP P20292 2/20 0.41
HDAC1 Q13547 1/20 0.41
JAK3 P52333 1/20 0.40
TPH1 P17752 2/20 0.40
NUDT1 P36639 1/20 0.39
FEN1 P39748 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL30884070 1.00 LOXL2 (0.46) LOXL2CXCR2BRD4CREBBPFFAR1
SCHEMBL23116037 0.81 LOXL2 (0.44) LOXL2CXCR2BRD4CREBBPFFAR1
SCHEMBL31339063 0.79 CXCR2 (0.45) LOXL2CXCR2BRD4CREBBPFFAR1
SCHEMBL23116014 0.79 CXCR2 (0.45) LOXL2CXCR2BRD4CREBBPFFAR1
SCHEMBL23115996 0.79 ALOX5AP (0.38) LOXL2CXCR2ALOX5APNUDT1FEN1
SCHEMBL30884079 0.79 ALOX5AP (0.38) LOXL2CXCR2ALOX5APNUDT1FEN1
SCHEMBL26031184 0.77 CYP2D6 (0.40) ACACB
SCHEMBL23414095 0.77 CYP1A2 (0.49)
SCHEMBL29824788 0.77 CYP1A2 (0.49)
SCHEMBL11136049 0.76 AGTR1 (0.46) ALOX5APTPH1FEN1

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 20 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
CN-117756800-A Ion channel modulators 普拉克西斯精密药物股份有限公司 2024-03-26 CN disclosed
US-11866439-B2 Ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2024-01-09 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-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-20220220118-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2022-07-14 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-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-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-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
US-20210087197-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-03-25 US disclosed
CN-112423760-A Ion channel modulators 普拉克西斯精密药物股份有限公司 2021-02-26 CN 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 LOXL2 3415/4885CXCR2 4237/4885BRD4 1035/4885
US-20240132501-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A LOXL2 3279/4885CXCR2 4447/4885BRD4 1893/4885
US-20220220118-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A LOXL2 3279/4885CXCR2 4447/4885BRD4 1893/4885
US-20210087197-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A LOXL2 3279/4885CXCR2 4447/4885BRD4 1893/4885
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 LOXL2 3421/4885CXCR2 4244/4885BRD4 999/4885
US-11866439-B2 Ion channel modulators SCN1A, SCN3A, SCN2A LOXL2 3279/4885CXCR2 4447/4885BRD4 1893/4885
US-20210163488-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A LOXL2 3279/4885CXCR2 4447/4885BRD4 1893/4885
US-20220024930-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A LOXL2 3279/4885CXCR2 4447/4885BRD4 1893/4885
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 LOXL2 3431/4885CXCR2 4288/4885BRD4 1115/4885

“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.