SCHEMBL20204048

SCHEMBL20204048

COC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.60
SCN5A Q14524 10/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
FYN P06241 1/20 0.40

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
SCHEMBL26540171 0.88 CYP1A2 (0.62) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL937091 0.88 CYP1A2 (0.72) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL21835782 0.86 CYP1A2 (0.81) CYP1A2SCN5ASCN1ASCN2AFYN
SCHEMBL20204050 0.85 CYP1A2 (0.59) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL21835763 0.83 CYP1A2 (0.82) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL21835738 0.83 SCN5A (0.58) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL20204064 0.83 CYP1A2 (0.53) CYP1A2SCN5ASCN1ASCN2AFYN
SCHEMBL937431 0.83 SCN5A (0.76) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL20203853 0.83 CYP1A2 (0.55) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL26011939 0.82 CYP1A2 (0.52) CYP1A2SCN5ASCN1ASCN2AFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210403476-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-12-30 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US 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 (3 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-20210403476-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A CYP1A2 2873/4885SCN5A 5/4885SCN1A 1/4885
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885SCN1A 1/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885SCN1A 1/4885

“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.