SCHEMBL25801373

SCHEMBL25801373

CC(C)(O)C1CN(c2nccc(S)c2F)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ABL1 P00519 3/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PRCP P42785 1/20 0.32
AOC3 Q16853 3/20 0.31
MAPK1 P28482 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL25801239 0.84 PDCD1 (0.36) ABL1LRRK2PDE10APRCPMAPK1
SCHEMBL24150990 0.83 ABL1 (0.33) ACACBABL1LRRK2PDE10APRCP
SCHEMBL24151086 0.72 PDCD1 (0.36) ABL1LRRK2PRCPMAPK1ATR
SCHEMBL30218978 0.71 PDCD1 (0.35) ABL1LRRK2PDE10APRCPMAPK1
SCHEMBL24151044 0.71 PDCD1 (0.35) ABL1LRRK2PDE10APRCPMAPK1
SCHEMBL30218987 0.70 HSD11B1 (0.48) HSD11B1
SCHEMBL24151110 0.69 PDCD1 (0.34) ABL1LRRK2PRCPATRATRIP
SCHEMBL25801322 0.67 KDM4E (0.30)
SCHEMBL21062752 0.65 PDE10A (0.37) PDE10A
SCHEMBL12179244 0.65 PDE10A (0.34) ACACBPDE10AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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 (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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 ACACB 3271/4885ABL1 59/4885LRRK2 394/4885

“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.