SCHEMBL13336313

SCHEMBL13336313

COc1cc(Br)cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)cc(-c4cnn(C)c4)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.49
▸ TYK2 P29597 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ IGF1R P08069 2/20 0.47
▸ TTK P33981 12/20 0.45
▸ AURKA O14965 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ ALPL P05186 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ FGFR4 P22455 1/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL13336311 0.89 JAK1 (0.47) JAK1TYK2JAK3IGF1RTTK
SCHEMBL13336099 0.83 DYRK1A (0.47) IGF1RAURKACDK1AURKBALPL
SCHEMBL13574132 0.79 TTK (0.41) JAK1TYK2JAK3IGF1RTTK
SCHEMBL13336159 0.78 JAK1 (0.47) JAK1TYK2JAK3TTKJAK2
SCHEMBL13362640 0.77 DYRK1A (0.48) IGF1RAURKACDK1AURKBFGFR4
SCHEMBL13336233 0.76 JAK1 (0.48) JAK1TYK2JAK3TTKJAK2
SCHEMBL1632751 0.76 JAK1 (0.51) JAK1TYK2JAK3JAK2DYRK1A
SCHEMBL13336098 0.75 DYRK1A (0.44) IGF1RAURKACDK1AURKBFGFR4
SCHEMBL13336204 0.74 JAK1 (0.49) JAK1TYK2JAK3TTKJAK2
SCHEMBL13362915 0.74 JAK1 (0.49) 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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