SCHEMBL20190030

SCHEMBL20190030

O=C(NNc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1)C1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
EPHX2 P34913 5/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ABL1 P00519 5/20 0.42
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAPT P10636 1/20 0.38
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 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
SCHEMBL20189843 0.94 CYP1A2 (0.61) CYP1A2EPHX2HDAC1HDAC2ABL1
SCHEMBL23571890 0.85 CYP1A2 (0.69) CYP1A2ABL1GSK3BGSK3AWNT1
SCHEMBL20203902 0.79 CYP1A2 (0.71) CYP1A2ABL1DYRK1AADORA3
SCHEMBL20190859 0.78 CYP1A2 (0.56) CYP1A2EPHX2HDAC1HDAC2ABL1
SCHEMBL20191119 0.78 CYP1A2 (1.00) CYP1A2EPHX2ABL1ADORA3
SCHEMBL20204022 0.77 CYP1A2 (0.69) CYP1A2EPHX2ABL1ADORA3
SCHEMBL20190514 0.77 CYP1A2 (0.57) CYP1A2
SCHEMBL20203801 0.76 CYP1A2 (0.67) CYP1A2HDAC1HDAC2ABL1ADORA3
SCHEMBL20203824 0.76 CYP1A2 (0.67) CYP1A2ABL1ADORA3
SCHEMBL20189734 0.72 CYP1A2 (0.61) CYP1A2HDAC1HDAC2ABL1MAPT

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 9 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
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 2106/4885HDAC1 290/4885
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885EPHX2 528/4885HDAC1 418/4885
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885EPHX2 528/4885HDAC1 418/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885EPHX2 528/4885HDAC1 418/4885

“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.