SCHEMBL6315893

SCHEMBL6315893

C[Si](C)(C)C#Cc1ccc2ncnn2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
SCN5A Q14524 1/20 0.37
TGFBR1 P36897 5/20 0.36
EGLN2 Q96KS0 4/20 0.33
KDM1A O60341 1/20 0.32
PIK3CD O00329 1/20 0.32
KIT P10721 4/20 0.31
DDR1 Q08345 4/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
MAPK14 Q16539 1/20 0.30
DDR2 Q16832 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
SCHEMBL1990213 0.80 KIT (0.46) KITDDR1DDR2
SCHEMBL6316118 0.80 GRM5 (0.44) DYRK1ASCN5ATGFBR1EGLN2KIT
SCHEMBL1997076 0.78 APP (0.41) DYRK1ASCN5ATGFBR1KITDDR1
SCHEMBL9902614 0.77 SCN5A (0.40) DYRK1ASCN5ATGFBR1EGLN2MAPK14
SCHEMBL6322323 0.77 DYRK1A (0.40) DYRK1ASCN5ATGFBR1EGLN2KIT
SCHEMBL4553627 0.75 DYRK1A (0.39) DYRK1ASCN5ATGFBR1EGLN2KDM1A
SCHEMBL259223 0.75 EGLN2 (0.46) DYRK1ASCN5AEGLN2KDM1A
SCHEMBL1990791 0.75 EGLN2 (0.45) DYRK1ASCN5ATGFBR1EGLN2KDM1A
SCHEMBL6757648 0.75 GRM5 (0.51) TGFBR1
SCHEMBL1990408 0.75 PDE10A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US disclosed
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
EP-1444232-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
WO-2003042211-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 WO disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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 (3 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-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase AKR1C3, CBR3, PHKG1 DYRK1A 847/4885SCN5A 595/4885TGFBR1 2245/4885
US-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 DYRK1A 1633/4885SCN5A 805/4885TGFBR1 431/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 DYRK1A 1644/4885SCN5A 839/4885TGFBR1 485/4885

“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.