SCHEMBL13336039

SCHEMBL13336039

CN(C)Cc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.43
▸ MAP4K3 Q8IVH8 1/20 0.43
▸ WNT1 P04628 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ AURKA O14965 3/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ INCENP Q9NQS7 3/20 0.39
▸ TPX2 Q9ULW0 3/20 0.39
▸ IGF1R P08069 3/20 0.39
▸ JUN P05412 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ BRAF P15056 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36

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
SCHEMBL13362991 0.89 MAP4K1 (0.45) MAP4K1MAP4K3IGF1RJUNMAPK8
SCHEMBL1571320 0.89 MAP4K1 (0.44) MAP4K1MAP4K3IGF1RJUNMAPK8
SCHEMBL13573968 0.87 MAP4K1 (0.43) MAP4K1MAP4K3IGF1RJUNMAPK8
SCHEMBL13336030 0.86 MAP4K1 (0.41) MAP4K1MAP4K3WNT1CLK2CLK3
SCHEMBL13225914 0.86 MAP4K1 (0.42) MAP4K1MAP4K3GSK3BAURKBIGF1R
SCHEMBL13225919 0.85 MAP4K1 (0.42) MAP4K1MAP4K3WNT1GSK3BDYRK1A
SCHEMBL13336028 0.84 MAP4K1 (0.43) MAP4K1MAP4K3WNT1GSK3BDYRK1A
SCHEMBL13225918 0.84 MET (0.46) MAP4K1MAP4K3WNT1CLK2CLK3
SCHEMBL12671430 0.83 MAP4K1 (0.46) MAP4K1MAP4K3CLK2CLK3DYRK1A
SCHEMBL13336330 0.83 MAP4K1 (0.44) MAP4K1MAP4K3JUNMAPK8MAPK10

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-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

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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885MAP4K3 103/4885WNT1 759/4885

“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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