SCHEMBL26539341

SCHEMBL26539341

COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.74
SCN5A Q14524 1/20 0.42
BRD4 O60885 1/20 0.42
MET P08581 6/20 0.41
DYRK1A Q13627 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 4/20 0.37
FYN P06241 2/20 0.36
PDE1A P54750 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL20203780 0.93 CYP1A2 (0.76) CYP1A2SCN5ABRD4METDYRK1A
SCHEMBL20203809 0.85 CYP1A2 (1.00) CYP1A2SCN5ABRD4DYRK1AMEN1
SCHEMBL26539288 0.85 CYP1A2 (0.86) CYP1A2SCN5ABRD4METDYRK1A
SCHEMBL20190585 0.81 CYP1A2 (0.58) CYP1A2SCN5ABRD4METDYRK1A
SCHEMBL26539322 0.80 CYP1A2 (0.53) CYP1A2SCN5ADYRK1ACYP3A4FYN
SCHEMBL26539314 0.80 CYP1A2 (0.62) CYP1A2SCN5AMETDYRK1ACYP3A4
SCHEMBL20203875 0.78 CYP1A2 (0.58) CYP1A2SCN5ABRD4METDYRK1A
SCHEMBL26539407 0.78 MET (0.44) CYP1A2SCN5ABRD4METMEN1
SCHEMBL937008 0.76 CYP1A2 (0.55) CYP1A2SCN5ABRD4METMEN1
SCHEMBL20204036 0.75 CYP1A2 (0.54) CYP1A2SCN5ADYRK1AFYN

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 1988/4885SCN5A 8/4885BRD4 993/4885

“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.