SCHEMBL20189843

SCHEMBL20189843

O=C(NNc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1)C1CCOC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
EPHX2 P34913 6/20 0.44
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
ABL1 P00519 3/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPK10 P53779 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK14 Q16539 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL20190030 0.94 CYP1A2 (0.63) CYP1A2EPHX2CTSLCTSSABL1
SCHEMBL23571890 0.84 CYP1A2 (0.69) CYP1A2ABL1GSK3AGSK3BADORA3
SCHEMBL20190859 0.81 CYP1A2 (0.56) CYP1A2EPHX2CTSLCTSSKCNQ3
SCHEMBL20203902 0.78 CYP1A2 (0.71) CYP1A2ABL1ADORA3
SCHEMBL20191119 0.76 CYP1A2 (1.00) CYP1A2EPHX2ABL1ADORA3
SCHEMBL20204022 0.76 CYP1A2 (0.69) CYP1A2EPHX2ABL1ADORA3
SCHEMBL20190514 0.76 CYP1A2 (0.57) CYP1A2KCNQ3KCNQ2
SCHEMBL20203824 0.75 CYP1A2 (0.67) CYP1A2ABL1ADORA3
SCHEMBL20203801 0.75 CYP1A2 (0.67) CYP1A2KCNQ3KCNQ2ABL1HDAC1
SCHEMBL20189734 0.71 CYP1A2 (0.61) CYP1A2ABL1HDAC1HDAC2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2025-05-22 US disclosed
EP-4397308-A2 COMPOUNDS AND THEIR METHODS OFUSE Praxis Precision Medicines, Inc. (US) 2024-07-10 EP disclosed
EP-3548033-B1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2024-04-10 EP 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-11629146-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as modulators of sodium channel activity PRAXIS PRECISION MEDICINES, INC. (US) 2023-04-18 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
EP-3548033-A1 COMPOUNDS AND THEIR METHODS OF USE Praxis Precision Medicines, Inc. (US) 2019-10-09 EP 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 (4 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-11629146-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as modulators of sodium channel activity SCN1A, SCN5A, SCN3A CYP1A2 2190/4885EPHX2 2106/4885CTSL 4763/4885
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885EPHX2 528/4885CTSL 4476/4885
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885EPHX2 528/4885CTSL 4476/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885EPHX2 528/4885CTSL 4476/4885

“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.