SCHEMBL1940995

SCHEMBL1940995

C[SiH](C)OC(c1ccnc(NC(=O)OC(C)(C)C)c1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ATR Q13535 1/20 0.39
AAK1 Q2M2I8 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IGF1R P08069 1/20 0.35
MAPK1 P28482 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAP4K4 O95819 1/20 0.35
SREBF2 Q12772 1/20 0.34
CYP17A1 P05093 2/20 0.34
CCR2 P41597 2/20 0.34
P2RX3 P56373 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL2808080 0.81 ATR (0.44) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL15070169 0.81 ATR (0.44) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL27962539 0.80 ATR (0.43) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL22945805 0.80 ATR (0.43) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL29626780 0.80 ATR (0.43) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL28741827 0.80 ATR (0.43) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL27955914 0.79 ATR (0.42) GSK3BDYRK1AATRAAK1IRAK4
SCHEMBL12596124 0.77 AAK1 (0.41) GSK3BDYRK1AATRAAK1IGF1R
SCHEMBL12695294 0.77 RAB9A (0.42) GSK3BDYRK1AATRAAK1IGF1R
SCHEMBL12541193 0.77 AAK1 (0.41) GSK3BDYRK1AATRAAK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 GSK3B 3529/4885DYRK1A 1904/4885ATR 2168/4885

“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.