SCHEMBL3545085

SCHEMBL3545085

CC(C)N1CCC(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN4CCOCC4)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
CD274 Q9NZQ7 5/20 0.47
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PLK2 Q9NYY3 1/20 0.46
EPHX2 P34913 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3544250 0.88 PLK1 (0.51) PDGFRBPDGFRAAURKAAURKBCD274
SCHEMBL3541388 0.87 PLK1 (0.58) PLK1PLK3PLK2
SCHEMBL3547445 0.80 RPS6KA3 (0.40) AURKAAURKBPLK1
SCHEMBL3540452 0.79 RAD52 (0.59) PLK1PLK3PLK2
SCHEMBL3546335 0.75 PLK1 (0.57) PLK1PLK3PLK2
SCHEMBL1203524 0.74 PLK1 (0.73) PLK1PLK3PLK2
SCHEMBL3538331 0.73 MAPK7 (0.66) PLK1PLK3PLK2
SCHEMBL1203674 0.73 PLK1 (0.66) PLK1PLK3PLK2
SCHEMBL13756757 0.73 EPHX2 (0.56) PDGFRBPDGFRAAURKAAURKBKIT
SCHEMBL4528493 0.72 CDK2 (0.68) AURKAAURKBKCNH2

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 PDGFRB 2254/4885PDGFRA 3011/4885AURKA 2926/4885

“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.