SCHEMBL20209399

SCHEMBL20209399

N#Cc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
CYP1A2 P05177 2/20 0.46
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SCN5A Q14524 10/20 0.40
SCN9A Q15858 2/20 0.40
KCNH2 Q12809 2/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CHEK1 O14757 1/20 0.39
ABL1 P00519 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL9020107 0.83 EGLN2 (0.46) KDM4EALDH1A1GAAMAPTCHEK1
SCHEMBL20203802 0.81 CYP1A2 (0.48) CYP1A2ALOX5APFEN1KDM4ENPC1
SCHEMBL19514025 0.80 KDM4E (0.57) TRPA1CYP1A2KDM4ENPC1ALDH1A1
SCHEMBL29620884 0.80 TRPA1 (0.55) TRPA1ALOX5APFEN1ALDH1A1MAPT
SCHEMBL10329121 0.80 TRPA1 (0.55) TRPA1ALOX5APFEN1ALDH1A1MAPT
SCHEMBL7275344 0.79 KDM4E (0.53) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL4478958 0.78 MEN1 (0.43) CYP1A2KDM4ENPC1ALDH1A1MAPT
SCHEMBL20190065 0.77 CYP1A2 (0.57) CYP1A2ALOX5APFEN1KDM4ENPC1
SCHEMBL16635303 0.77 KMO (0.54) TRPA1CYP1A2KDM4ENPC1ALDH1A1
SCHEMBL7280430 0.75 EGLN2 (0.41) KDM4ENPC1ALDH1A1GAAMAPT

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 3 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
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 TRPA1 495/4885CYP1A2 3251/4885ALOX5AP 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.