SCHEMBL3546254

SCHEMBL3546254

COc1cc(C(=O)NCC2(CN3CCCC3)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.57
PLK1 P53350 17/20 0.56
TTK P33981 4/20 0.56
PLK3 Q9H4B4 6/20 0.50
PLK4 O00444 1/20 0.50
GAK O14976 1/20 0.50
STK33 Q9BYT3 1/20 0.50
PLK2 Q9NYY3 5/20 0.49
BRD4 O60885 3/20 0.48
BRDT Q58F21 1/20 0.48

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
SCHEMBL3547205 0.94 RAD52 (0.51) RAD52PLK1TTKPLK3PLK4
SCHEMBL3542917 0.90 PLK1 (0.62) RAD52PLK1PLK3PLK2BRD4
SCHEMBL3548924 0.89 RAD52 (0.61) RAD52PLK1TTKPLK3PLK4
SCHEMBL3543550 0.89 PLK1 (0.62) PLK1PLK3PLK2BRD4BRDT
SCHEMBL3541244 0.89 PLK1 (0.61) RAD52PLK1TTKPLK3PLK4
SCHEMBL3549242 0.83 PLK1 (0.68) RAD52PLK1TTKPLK3PLK2
SCHEMBL3546812 0.82 PLK1 (0.55) RAD52PLK1TTKPLK3PLK4
SCHEMBL3547907 0.82 PLK1 (0.56) RAD52PLK1TTKPLK3PLK4
SCHEMBL3547772 0.81 PLK1 (0.73) RAD52PLK1TTKPLK3PLK2
SCHEMBL3546233 0.81 PLK1 (0.66) RAD52PLK1TTKPLK3PLK2

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 RAD52 4730/4885PLK1 847/4885TTK 4453/4885

“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.