SCHEMBL3503971

SCHEMBL3503971

CC(N)Cc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.39
▸ MAP4K3 Q8IVH8 1/20 0.39
▸ MAPK8 P45983 3/20 0.36
▸ JUN P05412 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ MET P08581 3/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CCNB2 O95067 2/20 0.34
▸ CCNE2 O96020 2/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ CCNB3 Q8WWL7 2/20 0.34
▸ DDR2 Q16832 5/20 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
SCHEMBL3503966 1.00 MAP4K1 (0.39) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL13225923 0.89 MAP4K1 (0.41) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL1571877 0.87 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL1571606 0.87 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL1572755 0.87 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL13225922 0.86 MAP4K1 (0.39) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL1571409 0.84 MAP4K1 (0.42) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL1571762 0.82 MAP4K1 (0.39) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL4423231 0.79 MAP4K1 (0.38) MAP4K1MAP4K3MAPK8JUNMAPK10
SCHEMBL1571982 0.79 DDR2 (0.36) MAP4K1MAP4K3MAPK8JUNMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAP4K1 49/4885MAP4K3 43/4885MAPK8 275/4885

“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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