SCHEMBL3487848

SCHEMBL3487848

COc1cc(C(=O)NC2CCC(N3CCN(CC4CC4)CC3)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.48
PLK1 P53350 2/20 0.47
MLNR O43193 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3487851 1.00 PTK2 (0.48) PTK2PLK1MLNRADRB2CHRM1
SCHEMBL1675927 0.85 PTK2 (0.50) PTK2PLK1KDM4EMEN1MAPT
SCHEMBL1675930 0.85 PTK2 (0.50) PTK2PLK1KDM4EMEN1MAPT
SCHEMBL736445 0.85 PTK2 (0.51) PTK2PLK1MEN1KMT2APDXK
SCHEMBL736469 0.85 PTK2 (0.51) PTK2PLK1MEN1KMT2APDXK
SCHEMBL1675598 0.80 KDM4E (0.47) PTK2PLK1KDM4EMEN1MAPT
SCHEMBL13457657 0.78 KDM4E (0.49) KDM4EMEN1MAPTKMT2A
SCHEMBL3232076 0.77 ALDH1A1 (0.45) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL27225192 0.77 DRD2 (0.54) DRD2DRD3HTR2BMEN1MAPT
SCHEMBL18623961 0.76 HTR4 (0.52) KDM4EMEN1MAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075973-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-25 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-20100075973-A1 POLO-LIKE KINASE INHIBITORS PLK2, PLK4, PLK1 PTK2 318/4885PLK1 3/4885MLNR 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.