SCHEMBL13336159

SCHEMBL13336159

COc1cc(Br)cc2cnc(Nc3cc(O[C@@H]4CCN(C)C4)cc(-c4cnn(C)c4)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.47
▸ TYK2 P29597 3/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ TTK P33981 14/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ CCNA2 P20248 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ CHEK1 O14757 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MAP4K3 Q8IVH8 1/20 0.42
▸ MAP4K1 Q92918 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
SCHEMBL13336071 0.89 MAP4K3 (0.42) JAK1TYK2JAK3TTKJAK2
SCHEMBL13336161 0.89 MAP4K3 (0.42) JAK1TYK2JAK3TTKJAK2
SCHEMBL13336233 0.89 JAK1 (0.48) JAK1TYK2JAK3TTKJAK2
SCHEMBL13336209 0.88 JAK1 (0.45) JAK1TYK2JAK3TTKJAK2
SCHEMBL13336204 0.87 JAK1 (0.49) JAK1TYK2JAK3TTKJAK2
SCHEMBL13362915 0.87 JAK1 (0.49) JAK1TYK2JAK3TTKJAK2
SCHEMBL1570237 0.84 MAP4K1 (0.49) JAK1TYK2JAK3TTKJAK2
SCHEMBL1570236 0.84 MAP4K1 (0.49) JAK1TYK2JAK3TTKJAK2
SCHEMBL13336269 0.82 JAK1 (0.47) JAK1TYK2JAK3TTKJAK2
SCHEMBL13336073 0.81 MAP4K1 (0.38) JAK1TYK2JAK3TTKJAK2

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 JAK1 1597/4885TYK2 3176/4885JAK3 1979/4885

“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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