SCHEMBL20203775

SCHEMBL20203775

COC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.76
SCN5A Q14524 7/20 0.76
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
DYRK1A Q13627 3/20 0.42
MET P08581 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
CLK2 P49760 1/20 0.41
HASPIN Q8TF76 1/20 0.41

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
SCHEMBL937201 0.87 CYP1A2 (1.00) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL20203774 0.84 CYP1A2 (0.80) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL24155932 0.83 CYP1A2 (0.71) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL20203912 0.83 CYP1A2 (0.55) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL937481 0.81 CYP1A2 (0.75) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL937513 0.81 CYP1A2 (0.70) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL20203920 0.80 CYP1A2 (0.77) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL26539011 0.80 CYP1A2 (0.77) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL26538901 0.79 CYP1A2 (0.80) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL937431 0.78 SCN5A (0.76) CYP1A2SCN5ASCN1ASCN2A

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.