SCHEMBL20204022

SCHEMBL20204022

O=C(NNc1cnc(-c2ccc(OC(F)(F)F)cc2)cn1)C(F)(F)Cl

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
ADORA3 P0DMS8 1/20 0.42
ABL1 P00519 5/20 0.41
TEK Q02763 2/20 0.40
BCR P11274 1/20 0.40
SCN10A Q9Y5Y9 5/20 0.40
TLR7 Q9NYK1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN2A Q99250 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.38
DHODH Q02127 1/20 0.38
EPHB4 P54760 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL20203902 0.85 CYP1A2 (0.71) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL20203824 0.82 CYP1A2 (0.67) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL20203801 0.82 CYP1A2 (0.67) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL20191119 0.81 CYP1A2 (1.00) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL23571890 0.79 CYP1A2 (0.69) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL20189734 0.78 CYP1A2 (0.61) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL20190030 0.77 CYP1A2 (0.63) CYP1A2ADORA3ABL1EPHX2
SCHEMBL20189843 0.76 CYP1A2 (0.61) CYP1A2ADORA3ABL1EPHX2
SCHEMBL20190065 0.75 CYP1A2 (0.57) CYP1A2ADORA3ABL1TEKBCR
SCHEMBL23571203 0.75 CYP1A2 (0.57) CYP1A2ADORA3ABL1TEKBCR

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 3 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-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 1988/4885ADORA3 2285/4885ABL1 3085/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885ADORA3 2285/4885ABL1 3085/4885

“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.