SCHEMBL20190844

SCHEMBL20190844

COCc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(F)(F)F)n2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
SCN5A Q14524 4/20 0.46
GRM5 P41594 7/20 0.39
ALKBH1 Q13686 1/20 0.35
DYRK1A Q13627 1/20 0.34
F2RL3 Q96RI0 2/20 0.33

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
SCHEMBL20191104 0.87 CYP1A2 (0.52) CYP1A2SCN5AGRM5ALKBH1DYRK1A
SCHEMBL23572551 0.84 CYP1A2 (0.52) CYP1A2SCN5AGRM5
SCHEMBL20190955 0.83 SCN5A (0.56) CYP1A2SCN5AGRM5
SCHEMBL20209013 0.82 CYP1A2 (0.67) CYP1A2SCN5AGRM5DYRK1A
SCHEMBL20191067 0.81 CYP1A2 (0.50) CYP1A2GRM5DYRK1A
SCHEMBL20188664 0.80 CYP1A2 (0.73) CYP1A2SCN5AALKBH1DYRK1A
SCHEMBL20208519 0.76 SCN5A (0.71) CYP1A2SCN5A
SCHEMBL20209012 0.72 CYP1A2 (0.74) CYP1A2SCN5AALKBH1DYRK1A
SCHEMBL26460949 0.72 CYP1A2 (0.52) CYP1A2SCN5AGRM5DYRK1A
SCHEMBL23572407 0.72 SCN5A (0.64) CYP1A2SCN5A

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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed
WO-2018098500-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 (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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885GRM5 179/4885

“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.