SCHEMBL20209641

SCHEMBL20209641

O=C(NCc1cnc(Cl)cn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.40
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK5 Q00535 2/20 0.34
TAOK1 Q7L7X3 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 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
SCHEMBL31569365 0.81 P2RX3 (0.41) ALDH1A1KMT2AHPGD
SCHEMBL29546318 0.80 SIRT6 (0.44) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL17008544 0.80 SIRT6 (0.44) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL31390467 0.79 ASPH (0.37) SIRT6SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL31390468 0.79 ASPH (0.37) SIRT6SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL26459530 0.79 WDR5 (0.42) SMN1; SMN2CDK5TAOK1CLK4L3MBTL1
SCHEMBL18961127 0.78 NPSR1 (0.49) SIRT6ALDH1A1POLBKMT2ACACNA1B
SCHEMBL8194183 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBL3MBTL1KCNQ3
SCHEMBL411337 0.75 VNN1 (0.47) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20225755 0.75 SIRT6 (0.41) SIRT6ALDH1A1MEN1KMT2ACACNA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 US disclosed
WO-2018098491-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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A SIRT6 3060/4885JUN 3697/4885NFKB1 3383/4885

“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.