SCHEMBL17854

SCHEMBL17854

N/C(=N\O)c1cc(C(F)(F)F)ncn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
CHKA P35790 1/20 0.48
NPSR1 Q6W5P4 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.32
MAPK1 P28482 1/20 0.31
GRM2 Q14416 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL17855 1.00 CA2 (0.48) CA2CHKANPSR1LOXL2LOX
SCHEMBL10223568 0.86 CA2 (0.34) CA2CHKANPSR1
SCHEMBL600884 0.86 CA2 (0.34) CA2CHKANPSR1
SCHEMBL604496 0.83 CA2 (0.33) CA2CHKANPSR1
SCHEMBL10223637 0.83 CA2 (0.33) CA2CHKANPSR1
SCHEMBL29552227 0.79 CA2 (0.44) CA2CHKANPSR1
SCHEMBL26674998 0.79 CA2 (0.44) CA2CHKANPSR1
SCHEMBL28051788 0.78 CA2 (0.52) CA2CHKAGRM2
SCHEMBL10272153 0.74 HSP90AA1 (0.33) NPSR1PDPK1
SCHEMBL604106 0.74 HSP90AA1 (0.33) NPSR1PDPK1

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
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS CA2 4377/4885CHKA 1443/4885NPSR1 3600/4885

“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.