SCHEMBL23850722

SCHEMBL23850722

N#Cc1ccc(N2CCC(F)(F)CC2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.41
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
S100B P04271 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MAP3K12 Q12852 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 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
SCHEMBL31587963 1.00 LRRK2 (0.41) LRRK2ALDH1A1HTTGAAL3MBTL1
SCHEMBL249165 0.83 PDE3B (0.43) LRRK2ALDH1A1L3MBTL1SLC6A9KCNH2
SCHEMBL31587548 0.83 LRRK2 (0.45) LRRK2ALDH1A1HTTGAAL3MBTL1
SCHEMBL23851021 0.83 LRRK2 (0.45) LRRK2ALDH1A1HTTGAAL3MBTL1
SCHEMBL3085427 0.81 S100B (0.59) ALDH1A1HTTGAAL3MBTL1S100B
SCHEMBL30668900 0.81 LRRK2 (0.36) LRRK2ALDH1A1SLC6A9KCNH2IRAK4
SCHEMBL31588227 0.80 GAA (0.41) LRRK2ALDH1A1HTTGAAL3MBTL1
SCHEMBL23851980 0.80 GAA (0.41) LRRK2ALDH1A1HTTGAAL3MBTL1
SCHEMBL13354909 0.80 DRD2 (0.53) ALDH1A1S100BKDM4EMAPTSMN1; SMN2
SCHEMBL1968214 0.79 PDE3B (0.46) LRRK2SLC6A9KCNH2IRAK4MAP3K12

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-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN 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-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 LRRK2 1016/4885ALDH1A1 2613/4885HTT 297/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR LRRK2 1301/4885ALDH1A1 276/4885HTT 218/4885

“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.