SCHEMBL20209397

SCHEMBL20209397

NCc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
SCN10A Q9Y5Y9 8/20 0.45
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KCNH2 Q12809 4/20 0.43
SCN5A Q14524 5/20 0.42
SCN1A P35498 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
ABL1 P00519 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL19531531 0.79 CHRM5 (0.46) CYP1A2SCN10AALOX5APFEN1KCNH2
SCHEMBL3720215 0.78 ABL1 (0.49) SCN10ASCN5AABL1KDM4EMAPT
Hydrochloric Acid SCHEMBL16635254 0.77 ABL1 (0.48) SCN10ASCN5AABL1KDM4EMAPT
SCHEMBL20203802 0.76 CYP1A2 (0.48) CYP1A2SCN10AALOX5APFEN1KCNH2
SCHEMBL20209398 0.76 CYP1A2 (0.49) CYP1A2SCN10AFEN1KCNH2SCN5A
SCHEMBL20190065 0.76 CYP1A2 (0.57) CYP1A2SCN10AALOX5APFEN1KCNH2
SCHEMBL20209399 0.74 TRPA1 (0.48) CYP1A2SCN10AALOX5APFEN1KCNH2
SCHEMBL23535542 0.73 CYP11B1 (0.51) ALOX5APFEN1
SCHEMBL20209207 0.73 SCN10A (0.48) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL3720655 0.73 SCN5A (0.46) SCN10AKCNH2SCN5ASCN1ASCN9A

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 CYP1A2 3251/4885SCN10A 15/4885ALOX5AP 2929/4885

“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.