SCHEMBL1571351

SCHEMBL1571351

Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCCNC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ ITK Q08881 3/20 0.38
▸ EGFR P00533 2/20 0.38
▸ DDR2 Q16832 6/20 0.37
▸ RET P07949 1/20 0.37
▸ BRAF P15056 5/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34

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
SCHEMBL1573257 0.92 GSK3B (0.35) GSK3BDYRK1AITKEGFRDDR2
SCHEMBL1573258 0.92 GSK3B (0.35) GSK3BDYRK1AITKEGFRDDR2
SCHEMBL1571675 0.89 BRAF (0.36) DDR2BRAFRAF1MAP4K3MAP4K1
SCHEMBL1572814 0.88 GSK3B (0.38) GSK3BDYRK1ADDR2TYRO3MERTK
SCHEMBL1571672 0.88 GSK3B (0.38) GSK3BDYRK1ADDR2TYRO3MERTK
SCHEMBL1572812 0.88 GSK3B (0.38) GSK3BDYRK1ADDR2TYRO3MERTK
SCHEMBL1571589 0.87 GSK3B (0.42) GSK3BDYRK1AITKEGFRDDR2
SCHEMBL1571094 0.86 FGFR4 (0.32) GSK3BDYRK1ADDR2BRAFTYRO3
SCHEMBL1571096 0.86 FGFR4 (0.32) GSK3BDYRK1ADDR2BRAFTYRO3
SCHEMBL1571492 0.86 GSK3B (0.41) GSK3BDYRK1ABRAFMAP4K3MAP4K1

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
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 GSK3B 406/4885DYRK1A 748/4885ITK 2388/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GSK3B 340/4885DYRK1A 1286/4885ITK 3020/4885

“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.

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