SCHEMBL20203885

SCHEMBL20203885

COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OCC3CC3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.46
SCN5A Q14524 3/20 0.45
DYRK1A Q13627 2/20 0.40
FYN P06241 1/20 0.37
BRD4 O60885 1/20 0.36
CRHR1 P34998 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL26545628 0.89 CYP1A2 (0.44) CYP1A2SCN5ADYRK1AFYNBRD4
SCHEMBL20203912 0.85 CYP1A2 (0.55) CYP1A2SCN5ADYRK1AFYNBRD4
SCHEMBL20203858 0.83 CYP1A2 (0.65) CYP1A2SCN5ADYRK1AFYN
SCHEMBL26538938 0.82 CYP1A2 (0.54) CYP1A2SCN5ADYRK1AFYNBRD4
SCHEMBL20203883 0.81 CYP1A2 (0.53) CYP1A2SCN5ADYRK1AFYNBRD4
SCHEMBL24155924 0.76 CYP1A2 (0.64) CYP1A2SCN5ADYRK1A
SCHEMBL20203742 0.76 CYP1A2 (0.77) CYP1A2SCN5ADYRK1AFYNCRHR1
SCHEMBL20203834 0.76 CYP1A2 (0.68) CYP1A2SCN5ADYRK1AFYNBRD4
SCHEMBL23571297 0.75 CYP1A2 (0.46) CYP1A2SCN5ABRD4
SCHEMBL20203736 0.75 CYP1A2 (0.53) CYP1A2SCN5ADYRK1AFYNBRD4

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.