SCHEMBL3547703

SCHEMBL3547703

CCOc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.55
PLK1 P53350 12/20 0.54
PLK3 Q9H4B4 2/20 0.54
PLK4 O00444 1/20 0.54
GAK O14976 1/20 0.54
TTK P33981 1/20 0.54
STK33 Q9BYT3 1/20 0.54
RAD52 P43351 2/20 0.52
BRD4 O60885 7/20 0.51
IGF1R P08069 2/20 0.49
BRDT Q58F21 1/20 0.48
PLK2 Q9NYY3 1/20 0.47

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
SCHEMBL3538104 0.92 PLK1 (0.60) PLK1TTKRAD52BRD4BRDT
SCHEMBL3543923 0.89 ALK (0.72) ALKPLK1RAD52BRD4BRDT
SCHEMBL3538446 0.87 ALK (0.67) ALKPLK1RAD52BRD4BRDT
SCHEMBL3541656 0.87 ALK (0.65) ALKPLK1PLK3RAD52BRD4
SCHEMBL3545300 0.86 ALK (0.61) ALKPLK1PLK3RAD52BRD4
SCHEMBL1560601 0.85 PLK1 (0.55) ALKPLK1PLK3BRD4IGF1R
SCHEMBL3540809 0.85 PLK1 (0.74) ALKPLK1PLK3PLK4GAK
SCHEMBL14313607 0.83 PLK1 (0.61) PLK1PLK3TTKRAD52BRD4
SCHEMBL1203486 0.81 PLK1 (0.77) ALKPLK1PLK3GAKTTK
SCHEMBL3670801 0.81 RAD52 (0.66) ALKPLK1PLK3GAKTTK

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 ALK 4405/4885PLK1 847/4885PLK3 2136/4885

“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.