SCHEMBL721200

SCHEMBL721200

C=Cc1c(N)nc(-c2cc(F)cc(Cl)c2)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RCE1 Q9Y256 1/20 0.34
EPAS1 Q99814 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
DPP4 P27487 1/20 0.33
F2 P00734 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
ACLY P53396 2/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
PLA2G2A P14555 1/20 0.31
PDGFRB P09619 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
SCHEMBL720397 0.87 KDM4E (0.37) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL719273 0.85 ERN1 (0.35) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL718383 0.83 LMNA (0.41) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL716661 0.83 KDM4E (0.43) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL719097 0.82 KDM4E (0.42) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL721162 0.82 KDM4E (0.51) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL719542 0.81 ERN1 (0.39) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL721132 0.81 KDM4E (0.53) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL716684 0.80 KDM4E (0.36) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL720845 0.79 MAPT (0.39) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2

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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP XPO1 1058/4885ALDH1A1 1043/4885KDM4E 2202/4885

“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.