SCHEMBL1572755

SCHEMBL1572755

C[C@H](N)COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.38
▸ MAPK8 P45983 3/20 0.36
▸ JUN P05412 2/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TTK P33981 10/20 0.35
▸ CCNA2 P20248 5/20 0.35
▸ CDK2 P24941 5/20 0.35
▸ BRAF P15056 1/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ CHEK1 O14757 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
SCHEMBL1571877 1.00 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL1571606 1.00 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL1571762 0.89 MAP4K1 (0.39) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL1571982 0.88 DDR2 (0.36) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL3503971 0.87 MAP4K1 (0.39) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL3503966 0.87 MAP4K1 (0.39) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL4423231 0.86 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL1571444 0.85 SYK (0.38) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL1571160 0.85 BRAF (0.51) MAP4K1MAP4K3MAPK8JUNMAPK9
SCHEMBL1873448 0.85 MAPK1 (0.35) MAP4K1MAP4K3MAPK8JUNMAPK9

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 9 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
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — 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 MAP4K1 49/4885MAP4K3 43/4885MAPK8 275/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885MAP4K3 103/4885MAPK8 284/4885

“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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