SCHEMBL20209034

SCHEMBL20209034

N#Cc1nc(C(F)(F)F)n2cc(-c3cnc(OCC(F)(F)F)c(F)c3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.37
DGAT1 O75907 8/20 0.36
AAK1 Q2M2I8 2/20 0.33
FEN1 P39748 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALOX5AP P20292 1/20 0.32
RET P07949 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL26464795 0.88 DGAT1 (0.33) DGAT1AAK1RET
SCHEMBL20190978 0.86 CYP1A2 (0.41) DGAT1AAK1CYP1A2
SCHEMBL20190868 0.84 SCN5A (0.39) SCN5ADGAT1AAK1FEN1CYP1A2
SCHEMBL20209044 0.83 CYP1A2 (0.44) SCN5ADGAT1CYP1A2CYP11B1CYP11B2
SCHEMBL26459650 0.79 CYP1A2 (0.38) DGAT1AAK1CYP1A2RET
SCHEMBL20190924 0.77 SCN5A (0.54) SCN5ADGAT1AAK1FEN1CYP1A2
SCHEMBL26462639 0.76 CYP1A2 (0.40) SCN5ADGAT1CYP1A2CYP11B1CYP11B2
SCHEMBL22712656 0.76 SCN5A (0.65) SCN5ADGAT1CYP1A2
SCHEMBL26462340 0.76 DGAT1 (0.35) DGAT1AAK1
SCHEMBL12909263 0.73 AR (0.40) SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 US disclosed
WO-2018098491-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 (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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A SCN5A 7/4885DGAT1 464/4885AAK1 3688/4885

“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.