SCHEMBL1571444

SCHEMBL1571444

COC(=O)COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.38
▸ MAP4K1 Q92918 2/20 0.37
▸ MAP4K3 Q8IVH8 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ FGFR3 P22607 2/20 0.36
▸ KDR P35968 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ TTK P33981 3/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ JUN P05412 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ JAK2 O60674 2/20 0.35

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
SCHEMBL4423231 0.93 MAP4K1 (0.38) MAP4K1MAP4K3GSK3AGSK3BJAK1
SCHEMBL1571762 0.86 MAP4K1 (0.39) MAP4K1MAP4K3JAK1JAK3TYK2
SCHEMBL1571982 0.86 DDR2 (0.36) MAP4K1MAP4K3TYRO3MERTKTTK
SCHEMBL14146275 0.85 MAP4K1 (0.40) SYKMAP4K1MAP4K3GSK3AGSK3B
SCHEMBL1571686 0.85 MAP4K1 (0.40) SYKMAP4K1MAP4K3GSK3AGSK3B
SCHEMBL1571675 0.85 BRAF (0.36) MAP4K1MAP4K3JAK1JAK3TYK2
SCHEMBL1572755 0.85 MAP4K1 (0.38) MAP4K1MAP4K3JAK1JAK3TYK2
SCHEMBL1571877 0.85 MAP4K1 (0.38) MAP4K1MAP4K3JAK1JAK3TYK2
SCHEMBL1571606 0.85 MAP4K1 (0.38) MAP4K1MAP4K3JAK1JAK3TYK2
SCHEMBL1571160 0.84 BRAF (0.51) MAP4K1MAP4K3JAK1JAK3TYK2

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 5 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-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 SYK 4095/4885MAP4K1 49/4885MAP4K3 43/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 SYK 4070/4885MAP4K1 112/4885MAP4K3 103/4885

“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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