SCHEMBL13252104

SCHEMBL13252104

CN1CCC(c2cccc(Nc3ncc4cc(C#N)ccc4n3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 17/20 0.63
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ BRD4 O60885 1/20 0.43

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
SCHEMBL12671463 0.90 MAP4K1 (0.51) MAP4K1MAP4K3BRD4
SCHEMBL13252759 0.86 MAP4K1 (0.50) MAP4K1MAP4K3BRD4
SCHEMBL12671465 0.77 ALK (0.41) MAP4K1BRD4
SCHEMBL13362919 0.75 DGAT1 (0.41) MAP4K1MAP4K3SCN9A
SCHEMBL13252743 0.75 DGAT1 (0.41) MAP4K1MAP4K3SCN9A
SCHEMBL13252757 0.74 HTR2C (0.50) BRD4
SCHEMBL13362982 0.74 SYK (0.45) MAP4K1SCN9ABRD4
SCHEMBL13225911 0.73 BRAF (0.41) MAP4K1MAP4K3SCN9A
SCHEMBL14289423 0.73 DRD3 (0.69) MAP4K1
SCHEMBL12671181 0.73 ALK (0.42) BRD4

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 43/4885SCN9A 3957/4885

“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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