SCHEMBL26539293

SCHEMBL26539293

C[C@@H](Oc1ncc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1F)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.58
AAK1 Q2M2I8 2/20 0.31
CNR2 P34972 2/20 0.31
PIK3CA P42336 2/20 0.30
PIK3CD O00329 1/20 0.30
PDGFRA P16234 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MAPK14 Q16539 2/20 0.30
LRRK2 Q5S007 1/20 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
SCHEMBL26539306 1.00 CYP1A2 (0.58) CYP1A2AAK1CNR2PIK3CAPIK3CD
SCHEMBL26539294 1.00 CYP1A2 (0.58) CYP1A2AAK1CNR2PIK3CAPIK3CD
SCHEMBL20204065 0.93 CYP1A2 (0.67) CYP1A2
SCHEMBL22744865 0.93 CYP1A2 (0.67) CYP1A2
SCHEMBL22744842 0.93 CYP1A2 (0.67) CYP1A2
SCHEMBL23454353 0.91 CYP1A2 (0.55) CYP1A2AAK1PIK3CA
SCHEMBL23454314 0.91 CYP1A2 (0.55) CYP1A2AAK1PIK3CA
SCHEMBL23454317 0.91 CYP1A2 (0.55) CYP1A2AAK1PIK3CA
SCHEMBL23116005 0.91 CYP1A2 (0.57) CYP1A2CNR2PIK3CAPIK3CDPDGFRA
SCHEMBL23116013 0.91 CYP1A2 (0.57) CYP1A2CNR2PIK3CAPIK3CDPDGFRA

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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885AAK1 3892/4885CNR2 388/4885

“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.