SCHEMBL20204036

SCHEMBL20204036

COCc1cc(-c2cn3c(C(F)F)nnc3cn2)ccc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.54
SCN5A Q14524 4/20 0.45
DYRK1A Q13627 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MAPK14 Q16539 1/20 0.32
SCN9A Q15858 1/20 0.32
FYN P06241 1/20 0.31

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
SCHEMBL26539322 0.93 CYP1A2 (0.53) CYP1A2SCN5ADYRK1AAAK1SCN9A
SCHEMBL20190396 0.88 CYP1A2 (0.54) CYP1A2SCN5AAAK1MAPK14SCN9A
SCHEMBL20203724 0.86 CYP1A2 (0.48) CYP1A2SCN5AAAK1MAPK14FYN
SCHEMBL20204047 0.86 CYP1A2 (0.67) CYP1A2SCN5A
SCHEMBL26539413 0.85 CYP1A2 (0.60) CYP1A2SCN5ADYRK1ASCN9A
SCHEMBL20203876 0.80 CYP1A2 (0.75) CYP1A2SCN5ADYRK1AAAK1
SCHEMBL20203780 0.80 CYP1A2 (0.76) CYP1A2SCN5ADYRK1AFYN
SCHEMBL26539343 0.79 CYP1A2 (0.48) CYP1A2SCN5AAAK1MAPK14FYN
SCHEMBL938029 0.78 CYP1A2 (0.70) CYP1A2SCN5A
SCHEMBL20203811 0.76 CYP1A2 (0.76) CYP1A2SCN5AAAK1SCN9A

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 8/4885DYRK1A 4493/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885DYRK1A 4493/4885

“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.