SCHEMBL718683

SCHEMBL718683

COC(=O)c1nc(-c2cc(F)c(C)c(F)c2F)nc(N)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.34
KDM4E B2RXH2 6/20 0.33
PKM P14618 2/20 0.33
RCE1 Q9Y256 1/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.33
DHPS P49366 1/20 0.32
NQO2 P16083 4/20 0.32
PDGFRB P09619 3/20 0.32
KDR P35968 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 2/20 0.32
ATM Q13315 1/20 0.31
WDR5 P61964 1/20 0.31
KMT2A Q03164 1/20 0.31
RBBP5 Q15291 1/20 0.31
ASH2L Q9UBL3 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
SCHEMBL1480091 0.84 ALPL (0.34) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL720880 0.84 GABRA1 (0.35) ALPLKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1477442 0.83 ALPL (0.43) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL1477905 0.82 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1477857 0.81 KDM4E (0.40) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL1480327 0.81 KDM4E (0.40) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL1223300 0.81 KDM4E (0.38) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL16076571 0.81 KDM4E (0.38) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL1478316 0.81 KDM4E (0.39) ALPLKDM4EPKMRCE1ALDH1A1
SCHEMBL1477994 0.80 ABL1 (0.42) ALPLKDM4EPKMRCE1ALDH1A1

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 3 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
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP 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 ALPL 1125/4885KDM4E 2202/4885PKM 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.