SCHEMBL13362827

SCHEMBL13362827

Bc1ccc2nc(Nc3cc(O)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.46
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ JUN P05412 2/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DDR2 Q16832 2/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ TTK P33981 3/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CCNB2 O95067 5/20 0.37
▸ CDK1 P06493 5/20 0.37
▸ CCNB1 P14635 5/20 0.37
▸ CDK5 Q00535 5/20 0.37

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
SCHEMBL12671430 0.88 MAP4K1 (0.46) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13251910 0.83 MAP4K1 (0.43) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL1571409 0.82 MAP4K1 (0.42) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL14146275 0.81 MAP4K1 (0.40) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13362640 0.81 DYRK1A (0.48) MAP4K1MAP4K3CLK2CLK3DYRK1A
SCHEMBL13362896 0.81 MAP4K1 (0.43) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13362643 0.78 CHEK1 (0.48) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13362817 0.78 MAP4K1 (0.44) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13362797 0.76 TTK (0.44) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13362641 0.76 GRM2 (0.44) MAP4K1MAP4K3DYRK1ADDR2TTK

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-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 103/4885JAK1 1597/4885

“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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