SCHEMBL20209636

SCHEMBL20209636

N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C(F)(F)F)cc3)ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
KIF11 P52732 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CYP1A2 P05177 3/20 0.37
SCN5A Q14524 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAOB P27338 2/20 0.34
KDM1A O60341 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL26460758 0.92 CYP1A2 (0.35) ADORA2AKIF11CTSSCTSKCYP1A2
SCHEMBL26460881 0.92 CYP1A2 (0.35) ADORA2AKIF11CTSSCTSKCYP1A2
SCHEMBL26460872 0.92 CYP1A2 (0.35) ADORA2AKIF11CTSSCTSKCYP1A2
SCHEMBL26460818 0.84 CYP1A2 (0.40) ADORA2ACTSSCTSKCYP1A2SCN5A
SCHEMBL20209633 0.81 ADORA2A (0.41) ADORA2AKIF11CYP1A2SCN5AMKNK1
SCHEMBL26461634 0.79 CTSS (0.32) CTSSCTSKCYP1A2
SCHEMBL20190978 0.74 CYP1A2 (0.41) CYP1A2DGAT1
SCHEMBL20209632 0.73 SCN5A (0.49) ADORA2AKIF11CYP1A2SCN5AMKNK1
SCHEMBL26462714 0.71 AAK1 (0.34) CYP1A2
SCHEMBL20203995 0.70 CYP1A2 (0.67) CYP1A2SCN5AMKNK1MKNK2MAOB

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 ADORA2A 3636/4885KIF11 2810/4885CTSS 3724/4885

“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.