SCHEMBL20203886

SCHEMBL20203886

COc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.77
SCN5A Q14524 4/20 0.50
CRHR1 P34998 3/20 0.39
DYRK1A Q13627 1/20 0.38
CTSA P10619 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
RUNX1 Q01196 1/20 0.35

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
SCHEMBL26539568 0.93 CYP1A2 (0.67) CYP1A2SCN5ACRHR1DYRK1ACTSA
SCHEMBL20203709 0.87 CYP1A2 (1.00) CYP1A2SCN5ADYRK1AALOX5APFEN1
SCHEMBL23571184 0.86 CYP1A2 (1.00) CYP1A2SCN5AALOX5APFEN1
SCHEMBL20203844 0.85 CYP1A2 (0.77) CYP1A2SCN5ADYRK1ARUNX1
SCHEMBL20203876 0.85 CYP1A2 (0.75) CYP1A2SCN5ADYRK1AALOX5APFEN1
SCHEMBL26539151 0.84 CYP1A2 (0.66) CYP1A2SCN5ACRHR1DYRK1ARUNX1
SCHEMBL26539569 0.80 CYP1A2 (0.86) CYP1A2SCN5ADYRK1AALOX5APFEN1
SCHEMBL26539066 0.80 CYP1A2 (0.84) CYP1A2SCN5AALOX5APFEN1
SCHEMBL938029 0.80 CYP1A2 (0.70) CYP1A2SCN5A
SCHEMBL20203742 0.79 CYP1A2 (0.77) CYP1A2SCN5ACRHR1DYRK1A

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 4 patents. 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
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO 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 (2 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-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885CRHR1 3528/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885CRHR1 3528/4885

“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.