SCHEMBL6180348

SCHEMBL6180348

CCc1cc(C#C[Si](C)(C)C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRA4 P48169 2/20 0.36
GABRA6 Q16445 2/20 0.36
FFAR1 O14842 8/20 0.33
FFAR4 Q5NUL3 7/20 0.33
GRM5 P41594 1/20 0.32
LOX P28300 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL6180715 0.86 FFAR1 (0.41) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL18097560 0.84 FFAR1 (0.34) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL4705809 0.82 GABRA1 (0.35) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1476652 0.81 IKBKB (0.37) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1477690 0.80 GRM5 (0.43) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1477497 0.79 SETDB1 (0.43)
SCHEMBL3837338 0.79 ALDH1A1 (0.38) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13620854 0.79 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL20455776 0.79 POLB (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL2793728 0.77 MPO (0.37) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 GABRA1 4651/4885GABRA5 4638/4885GABRG2 4713/4885

“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.