SCHEMBL13251937

SCHEMBL13251937

Cn1cc(-c2cc(Nc3ncc4cc(Br)ccc4n3)cc(C(N)=O)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.49
▸ CDK19 Q9BWU1 1/20 0.49
▸ MAP4K1 Q92918 2/20 0.43
▸ MAP4K3 Q8IVH8 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ SYK P43405 3/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PRKACA P17612 1/20 0.42

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
SCHEMBL13336099 0.87 DYRK1A (0.47) MAP4K1MAP4K3CLK2DYRK1ACDK2
SCHEMBL13363122 0.87 BRAF (0.43) CLK2DYRK1ACLK3DDR2BRAF
SCHEMBL13225918 0.86 MET (0.46) ALKCDK19MAP4K1MAP4K3SYK
SCHEMBL12671430 0.85 MAP4K1 (0.46) ALKCDK19MAP4K1MAP4K3CLK2
SCHEMBL13225919 0.83 MAP4K1 (0.42) MAP4K1MAP4K3DYRK1AGSK3BDDR2
SCHEMBL1571320 0.83 MAP4K1 (0.44) ALKCDK19MAP4K1MAP4K3JAK3
SCHEMBL13362991 0.82 MAP4K1 (0.45) ALKCDK19MAP4K1MAP4K3JAK3
SCHEMBL1571686 0.81 MAP4K1 (0.40) MAP4K1MAP4K3SYKDYRK1AJAK2
SCHEMBL13573968 0.81 MAP4K1 (0.43) ALKCDK19MAP4K1MAP4K3CDK2
SCHEMBL1571377 0.81 BRAF (0.43) MAP4K1MAP4K3SYKCDK2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALK 3665/4885CDK19 246/4885MAP4K1 49/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 ALK 3321/4885CDK19 131/4885MAP4K1 112/4885

“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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