SCHEMBL20209633

SCHEMBL20209633

FC(F)(F)c1ccc(-c2cn3c(C(F)(F)F)nc(Br)c3cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
SCN5A Q14524 1/20 0.40
CYP1A2 P05177 3/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
AHR P35869 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 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
SCHEMBL26459630 0.85 SCN5A (0.49) ADORA2ASCN5ACYP1A2KDM4ENPC1
SCHEMBL26464602 0.82 CYP1A2 (0.37) ADORA2ACYP1A2MKNK1MKNK2
SCHEMBL20209636 0.81 ADORA2A (0.39) ADORA2ASCN5ACYP1A2MKNK1MKNK2
SCHEMBL12945004 0.80 SCN5A (0.54) ADORA2ASCN5AAHRKIF11
SCHEMBL20209632 0.76 SCN5A (0.49) ADORA2ASCN5ACYP1A2MKNK1MKNK2
SCHEMBL26464474 0.74 CYP1A2 (0.42) ADORA2ASCN5ACYP1A2KDM4ENPC1
SCHEMBL20203995 0.73 CYP1A2 (0.67) SCN5ACYP1A2MKNK1MKNK2KDM1A
SCHEMBL26460881 0.73 CYP1A2 (0.35) ADORA2ASCN5ACYP1A2MKNK1MKNK2
SCHEMBL26460758 0.73 CYP1A2 (0.35) ADORA2ASCN5ACYP1A2MKNK1MKNK2
SCHEMBL26460872 0.73 CYP1A2 (0.35) ADORA2ASCN5ACYP1A2MKNK1MKNK2

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 3636/4885SCN5A 7/4885CYP1A2 3251/4885

“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.