SCHEMBL26464602

SCHEMBL26464602

CC(F)(F)c1ccc(-c2cn3c(C(C)(F)P)nc(Br)c3cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
GRIN2B Q13224 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ADORA2A P29274 2/20 0.32

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
SCHEMBL26464474 0.85 CYP1A2 (0.42) CYP1A2ADORA2A
SCHEMBL20209633 0.82 ADORA2A (0.41) CYP1A2MKNK1MKNK2ADORA2A
SCHEMBL26459630 0.73 SCN5A (0.49) CYP1A2ADORA2A
SCHEMBL26460758 0.67 CYP1A2 (0.35) CYP1A2MKNK1MKNK2ADORA2A
SCHEMBL26460872 0.67 CYP1A2 (0.35) CYP1A2MKNK1MKNK2ADORA2A
SCHEMBL20209636 0.64 ADORA2A (0.39) CYP1A2MKNK1MKNK2ADORA2A
SCHEMBL26539108 0.64 CYP1A2 (0.59) CYP1A2MKNK1MKNK2
SCHEMBL12945004 0.62 SCN5A (0.54) ADORA2A
SCHEMBL26460881 0.62 CYP1A2 (0.35) CYP1A2MKNK1MKNK2ADORA2A
SCHEMBL26464453 0.62 SCN5A (0.47) CYP1A2ADORA2A

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 3251/4885GRIN2B 150/4885MKNK1 2964/4885

“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.