SCHEMBL26539151

SCHEMBL26539151

COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.66
SCN5A Q14524 5/20 0.53
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
DYRK1A Q13627 1/20 0.39
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
RUNX1 Q01196 1/20 0.36
CRHR1 P34998 1/20 0.36
FYN P06241 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
SCHEMBL20203844 0.93 CYP1A2 (0.77) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL26539106 0.87 CYP1A2 (0.85) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL26539146 0.87 CYP1A2 (0.83) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL26539129 0.85 CYP1A2 (0.87) CYP1A2SCN5ASCN1ASCN2ADYRK1A
SCHEMBL20203886 0.84 CYP1A2 (0.77) CYP1A2SCN5ADYRK1ARUNX1CRHR1
SCHEMBL26539568 0.83 CYP1A2 (0.67) CYP1A2SCN5ADYRK1ARUNX1CRHR1
SCHEMBL26329008 0.82 CYP1A2 (0.62) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL26540171 0.81 CYP1A2 (0.62) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL20203994 0.79 CYP1A2 (1.00) CYP1A2SCN5ASCN1ASCN2A
SCHEMBL21835763 0.79 CYP1A2 (0.82) CYP1A2SCN5ASCN1ASCN2ADYRK1A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.