SCHEMBL20190661

SCHEMBL20190661

FC(F)(F)Oc1ccc(-c2ccc3nnc(C[C@@H]4CCCCO4)n3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.61
SCN5A Q14524 2/20 0.54
RXFP1 Q9HBX9 6/20 0.44
TNF P01375 3/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MET P08581 2/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
DYRK1A Q13627 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
SCHEMBL20190512 1.00 CYP1A2 (0.61) CYP1A2SCN5ARXFP1TNFKDM4E
SCHEMBL20203861 1.00 CYP1A2 (0.61) CYP1A2SCN5ARXFP1TNFKDM4E
SCHEMBL20203928 0.97 CYP1A2 (0.62) CYP1A2SCN5ARXFP1TNFKDM4E
SCHEMBL26539052 0.85 CYP1A2 (0.67) CYP1A2SCN5AKDM4EALDH1A1MET
SCHEMBL26539801 0.83 CYP1A2 (0.68) CYP1A2SCN5AMETSCN1ASCN2A
SCHEMBL20203826 0.83 CYP1A2 (0.64) CYP1A2SCN5AMETSCN1ASCN2A
SCHEMBL20203930 0.82 CYP1A2 (0.60) CYP1A2SCN5ARXFP1METSCN1A
SCHEMBL20203757 0.81 CYP1A2 (0.62) CYP1A2SCN5AMETSCN1ASCN2A
SCHEMBL20203837 0.81 CYP1A2 (0.43) CYP1A2SCN5ATNFALDH1A1SCN1A
SCHEMBL20190944 0.81 CYP1A2 (0.43) CYP1A2SCN5ATNFALDH1A1SCN1A

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 11 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-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 2190/4885SCN5A 2/4885RXFP1 4133/4885
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885RXFP1 3829/4885
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885RXFP1 3829/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885RXFP1 3829/4885

“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.