SCHEMBL720397

SCHEMBL720397

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
PKM P14618 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RCE1 Q9Y256 1/20 0.35
ERN1 O75460 2/20 0.34
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
F2 P00734 1/20 0.33
ACLY P53396 4/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
ABL1 P00519 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NQO2 P16083 2/20 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
SCHEMBL719273 0.91 ERN1 (0.35) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL719097 0.88 KDM4E (0.42) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL721200 0.87 XPO1 (0.39) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL719542 0.87 ERN1 (0.39) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL716661 0.86 KDM4E (0.43) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL721162 0.83 KDM4E (0.51) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL716684 0.83 KDM4E (0.36) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL718383 0.82 LMNA (0.41) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL720845 0.82 MAPT (0.39) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL1918851 0.82 ALPL (0.39) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1

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 KDM4E 2202/4885ALDH1A1 1043/4885PKM 1703/4885

“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.