SCHEMBL231887

SCHEMBL231887

O=C1N=C(NCCc2ccc(F)nc2)CO1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GSK3B P49841 1/20 0.32
GAA P10253 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL230086 0.84 GAA (0.38) GAA
SCHEMBL231881 0.84 PARP1 (0.34) DYRK1ACLK4GAACYP11B1
SCHEMBL232893 0.81 MAOA (0.34)
SCHEMBL232149 0.77 GRIA2 (0.30) DRD2DRD4DRD3
SCHEMBL231623 0.77 HDAC3 (0.32) DRD2DRD4DRD3
SCHEMBL229675 0.70 LMNA (0.31) GAA
SCHEMBL231886 0.68 MMP2 (0.34) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL232148 0.68 CYP11B1 (0.33) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL232891 0.67 MMP2 (0.31) DRD2DRD4DRD3
SCHEMBL10483864 0.66 SIGMAR1 (0.47) GSK3BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US claimed
WO-2010005692-A2 INSECTICIDAL CYCLIC CARBONYL AMIDINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-14 WO claimed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US disclosed
WO-2010005692-A2 INSECTICIDAL CYCLIC CARBONYL AMIDINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-14 WO 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-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES DDT, PRMT9, PNISR DYRK1A 3559/4885CLK4 3249/4885GSK3B 4334/4885

“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.