SCHEMBL26464474

SCHEMBL26464474

CC(C)(F)Oc1ccc(-c2cn3c(C(C)(F)P)nc(Br)c3cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ADORA2A P29274 1/20 0.34
SCN5A Q14524 6/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
FYN P06241 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL26464602 0.85 CYP1A2 (0.37) CYP1A2ADORA2A
SCHEMBL26459630 0.82 SCN5A (0.49) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL26460703 0.76 SCN5A (0.47) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL26461295 0.76 SCN5A (0.47) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL20209633 0.74 ADORA2A (0.41) CYP1A2ADORA2ASCN5AKDM4ERAB9A
SCHEMBL26461612 0.71 SCN5A (0.49) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL26464453 0.69 SCN5A (0.47) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL26460818 0.69 CYP1A2 (0.40) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL26462944 0.66 SCN5A (0.49) CYP1A2ADORA2ASCN5AKDM4EMAPT
SCHEMBL26460241 0.66 SCN5A (0.41) SCN5ASCN1ASCN2A

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 1 patent. 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

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 3251/4885ADORA2A 3636/4885SCN5A 7/4885

“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.