SCHEMBL20203835

SCHEMBL20203835

CC(=O)Nc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
SCN5A Q14524 5/20 0.43
CYP1A2 P05177 3/20 0.43
DYRK1A Q13627 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
FYN P06241 1/20 0.38
CHRNA7 P36544 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
BRAF P15056 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
TP53 P04637 1/20 0.35
SMPD3 Q9NY59 1/20 0.35

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
SCHEMBL20203975 0.93 SCN5A (0.52) ADORA3SCN5ACYP1A2DYRK1ASCN1A
SCHEMBL26539438 0.82 SCN5A (0.46) SCN5ACYP1A2SCN1ASCN2A
SCHEMBL26539425 0.80 ADORA3 (0.49) ADORA3SCN5ACYP1A2DYRK1AFYN
SCHEMBL26539447 0.80 SCN5A (0.50) SCN5ACYP1A2SCN1ASCN2AMAPT
SCHEMBL26539329 0.80 SCN5A (0.50) SCN5ACYP1A2SCN1ASCN2AMAPT
SCHEMBL26539353 0.79 SCN5A (0.49) SCN5ACYP1A2SCN1ASCN2AMAPT
SCHEMBL26539455 0.79 SCN5A (0.49) SCN5ACYP1A2SCN1ASCN2AMAPT
SCHEMBL26539441 0.78 SCN5A (0.46) SCN5ACYP1A2SCN1ASCN2AMAPT
SCHEMBL26539323 0.75 CYP1A2 (0.49) SCN5ACYP1A2DYRK1ASCN1ASCN2A
SCHEMBL20203717 0.73 CYP1A2 (0.54) ADORA3SCN5ACYP1A2DYRK1ASCN1A

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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 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 (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 ADORA3 2285/4885SCN5A 8/4885CYP1A2 1988/4885

“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.