SCHEMBL20203801

SCHEMBL20203801

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
ADORA3 P0DMS8 1/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 1/20 0.40
TEK Q02763 1/20 0.40
GRIN2B Q13224 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
SCN10A Q9Y5Y9 5/20 0.38

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 0.84 CYP1A2 (0.71) CYP1A2ADORA3ABL1BCRTEK
SCHEMBL20189734 0.84 CYP1A2 (0.61) CYP1A2ADORA3ABL1BCRTEK
SCHEMBL20204022 0.82 CYP1A2 (0.69) CYP1A2ADORA3ABL1BCRTEK
SCHEMBL20203824 0.81 CYP1A2 (0.67) CYP1A2ADORA3ABL1BCRTEK
SCHEMBL20191119 0.81 CYP1A2 (1.00) CYP1A2ADORA3ABL1BCRTEK
SCHEMBL20190928 0.80 CYP1A2 (0.57) CYP1A2ABL1SCN10AFAAH
SCHEMBL20190514 0.78 CYP1A2 (0.57) CYP1A2KCNQ3KCNQ2
SCHEMBL23571890 0.78 CYP1A2 (0.69) CYP1A2ADORA3ABL1BCRTEK
SCHEMBL20190859 0.77 CYP1A2 (0.56) CYP1A2ABL1BCRHDAC3HDAC4
SCHEMBL20190030 0.76 CYP1A2 (0.63) CYP1A2ADORA3ABL1HDAC1HDAC2

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.