SCHEMBL25700628

SCHEMBL25700628

OC(c1ccc(I)cn1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.33
PDE10A Q9Y233 2/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 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
SCHEMBL1973396 0.78 ESR1 (0.43) PDE10A
SCHEMBL10328707 0.78 APLNR (0.46) ABL1PDE10AJAK2JAK1GABRA5
SCHEMBL29618139 0.78 APLNR (0.46) ABL1PDE10AJAK2JAK1GABRA5
SCHEMBL16011597 0.77 S1PR3 (0.37) GABRA5
SCHEMBL29739695 0.77 PTGS1 (0.36) ABL1PDE10AJAK2JAK1
SCHEMBL25160107 0.77 PDE10A (0.46) ABL1PDE10A
SCHEMBL2147552 0.77 ALDH1A1 (0.37) PDE10AJAK2JAK1
SCHEMBL2693524 0.77 ALDH1A1 (0.37) PDE10AJAK2JAK1
SCHEMBL20644491 0.74 OGA (0.37) ABL1PDE10A
SCHEMBL14848258 0.74 ESR1 (0.38)

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A ABL1 3596/4885PDE10A 940/4885JAK2 3847/4885

“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.