SCHEMBL25334458

SCHEMBL25334458

C[Si](C)(C)C#Cc1ccc2ccnn2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL9903316 0.80 GRM5 (0.43) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL1992055 0.79 APP (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL24566036 0.75 CYP19A1 (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL1990213 0.74 KIT (0.46)
SCHEMBL6315893 0.74 DYRK1A (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306384 0.72 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306505 0.70 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12708991 0.70 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL30257827 0.69 CDK2 (0.33)
SCHEMBL29516544 0.69 KIT (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20250152564-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-05-15 US disclosed
WO-2025021218-A1 CYSTAL FORM OF PROPENONE-CONTAINING BIOLOGICAL INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-01-30 WO disclosed
CN-119371440-A Salt containing acrylketone biological inhibitor, salt crystal form, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-28 CN disclosed
CN-118574831-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-30 CN disclosed
WO-2023143514-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2023-08-03 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-20250152564-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP51A1, HSD17B7, CYP46A1 SLC6A2 4570/4885SLC6A4 4360/4885SLC6A3 4678/4885

“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.