SCHEMBL26460872

SCHEMBL26460872

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
ADORA2A P29274 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SCN5A Q14524 1/20 0.30
KIF11 P52732 2/20 0.30

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 0.93 CYP1A2 (0.35) CYP1A2ADORA2ACTSSCTSKMKNK1
SCHEMBL20209636 0.92 ADORA2A (0.39) CYP1A2ADORA2ACTSSCTSKMKNK1
SCHEMBL26460881 0.88 CYP1A2 (0.35) CYP1A2ADORA2ACTSSCTSKMKNK1
SCHEMBL26460818 0.85 CYP1A2 (0.40) CYP1A2ADORA2ACTSSCTSKSCN5A
SCHEMBL26461634 0.76 CTSS (0.32) CYP1A2CTSSCTSK
SCHEMBL20209633 0.73 ADORA2A (0.41) CYP1A2ADORA2AMKNK1MKNK2SCN5A
SCHEMBL26462714 0.73 AAK1 (0.34) CYP1A2
SCHEMBL20190978 0.72 CYP1A2 (0.41) CYP1A2
SCHEMBL26462287 0.69 AAK1 (0.34)
SCHEMBL12909263 0.68 AR (0.40) SCN5A

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 3636/4885CTSS 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.