SCHEMBL20203876

SCHEMBL20203876

COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.75
SCN5A Q14524 4/20 0.47
RXRA P19793 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
DYRK1A Q13627 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL26539324 0.93 CYP1A2 (0.74) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL21835657 0.87 CYP1A2 (0.83) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL20203811 0.86 CYP1A2 (0.76) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL20203838 0.86 CYP1A2 (1.00) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL31733960 0.85 CYP1A2 (0.87) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL26539129 0.85 CYP1A2 (0.87) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL20203886 0.85 CYP1A2 (0.77) CYP1A2SCN5ADYRK1AALOX5APFEN1
SCHEMBL20203709 0.85 CYP1A2 (1.00) CYP1A2SCN5ADYRK1AAAK1ALOX5AP
SCHEMBL24155936 0.84 CYP1A2 (0.85) CYP1A2SCN5ARXRAGRIN1GRIN2B
SCHEMBL21835764 0.84 CYP1A2 (0.85) CYP1A2SCN5ARXRAGRIN1GRIN2B

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 8/4885RXRA 2238/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885RXRA 2238/4885

“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.