SCHEMBL1571672

SCHEMBL1571672

C[C@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DDR2 Q16832 9/20 0.35
▸ MAP4K3 Q8IVH8 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ TTK P33981 4/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ MET P08581 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 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
SCHEMBL1572814 1.00 GSK3B (0.38) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1572812 1.00 GSK3B (0.38) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571314 0.91 BRAF (0.30) MAP4K1
SCHEMBL1571982 0.91 DDR2 (0.36) DDR2MAP4K3MAP4K1TTKMAPK1
SCHEMBL1573258 0.88 GSK3B (0.35) GSK3BDYRK1ADDR2TYRO3MERTK
SCHEMBL1573257 0.88 GSK3B (0.35) GSK3BDYRK1ADDR2TYRO3MERTK
SCHEMBL1571351 0.88 GSK3B (0.39) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571239 0.87 GSK3B (0.41) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL13362831 0.87 GSK3B (0.41) GSK3BDYRK1ADDR2MAP4K3MAP4K1
SCHEMBL1571237 0.87 GSK3B (0.41) GSK3BDYRK1ADDR2MAP4K3MAP4K1

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-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
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 748/4885DDR2 1418/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GSK3B 340/4885DYRK1A 1286/4885DDR2 1558/4885

“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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