SCHEMBL4014826

SCHEMBL4014826

CC(=O)n1ncc2cc(C#C[Si](C)(C)C)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.57
AURKA O14965 1/20 0.57
DAPK3 O43293 1/20 0.57
CSNK1A1 P48729 1/20 0.57
GSK3A P49840 1/20 0.57
LIMK1 P53667 1/20 0.57
IKBKE Q14164 1/20 0.57
MAPK14 Q16539 1/20 0.57
TAOK1 Q7L7X3 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
DYRK1B Q9Y463 1/20 0.57
HSP90AB1 P08238 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
HAO1 Q9UJM8 2/20 0.36
SHMT2 P34897 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL4293893 0.89 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL5342173 0.81 CHEK1 (0.61) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL28995765 0.78 GRIN2B (0.46) HAO1
SCHEMBL23360853 0.76 NOTUM (0.47) HSP90AB1GABRA1GABRA5GABRG2GABRB3
SCHEMBL28820148 0.75 GABRA5 (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3928400 0.74 DYRK1B (0.69) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13748528 0.74 CHEK1 (0.69) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17373903 0.73 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4289695 0.73 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1141404 0.73 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 CHEK1 342/4885AURKA 1757/4885DAPK3 332/4885

“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.