SCHEMBL22712296

SCHEMBL22712296

CSc1nc(CNC=O)cc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
PPARD Q03181 2/20 0.39
ACP1 P24666 1/20 0.38
BRD4 O60885 1/20 0.37
SCN10A Q9Y5Y9 4/20 0.36
DHODH Q02127 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
MAPT P10636 1/20 0.36
SCN2A Q99250 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
SCN9A Q15858 2/20 0.35
AHR P35869 1/20 0.35
PTGES O14684 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL22712346 0.85 CYP1A2 (0.37) PPARDSCN10ASCN2APTGES
SCHEMBL22712341 0.81 ACP1 (0.42) ADORA3PPARDACP1SCN10ADHODH
SCHEMBL22712349 0.74 DHODH (0.44) ADORA3PPARDACP1SCN10ADHODH
SCHEMBL22712347 0.74 AAK1 (0.30)
SCHEMBL22712360 0.73 AAK1 (0.34) TRPV3SCN9A
SCHEMBL22712302 0.72 KDM4E (0.46) ADORA3ACP1DHODHMAPTMEN1
SCHEMBL22738638 0.72 ABL1 (0.41) SCN10ASCN2ASCN9A
SCHEMBL22712362 0.71 AAK1 (0.33)
SCHEMBL22738479 0.71 SMO (0.42) ADORA3PPARDACP1SCN10ATRPV3
SCHEMBL10845893 0.70 LMNA (0.32) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773099-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-03 US disclosed
US-11773099-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-03 US disclosed
US-11773099-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-03 US disclosed
US-20200377506-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2020-12-03 US disclosed
US-20200377506-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2020-12-03 US 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-20200377506-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B ADORA3 2285/4885PPARD 4182/4885ACP1 3464/4885
US-11773099-B2 Compounds and their methods of use SCN1A, SCN1B, SCN3A ADORA3 1204/4885PPARD 4326/4885ACP1 3894/4885

“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.