SCHEMBL718750

SCHEMBL718750

C=C(C)c1c(N)nc(-c2ccc(Cl)c(N(C)C)c2F)nc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
PKM P14618 2/20 0.33
RCE1 Q9Y256 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL721102 0.92 KDM4E (0.35) KDM4EPKMRCE1MEN1GAA
SCHEMBL720342 0.88 TP53 (0.34) KDM4EPKMRCE1MEN1GAA
SCHEMBL718435 0.87 TAS1R3 (0.37) KDM4EPKMRCE1MEN1KMT2A
SCHEMBL116281 0.86 KDM4E (0.36) KDM4EPKMRCE1MEN1GAA
SCHEMBL10252352 0.85 KDM4E (0.35) KDM4EPKMRCE1MEN1GAA
SCHEMBL119041 0.84 KDM4E (0.33) KDM4EPKMRCE1MEN1GAA
SCHEMBL719369 0.81 KDM4E (0.33) KDM4EPKMRCE1MEN1GAA
SCHEMBL719370 0.81 KDM4E (0.33) KDM4EPKMRCE1MEN1GAA
SCHEMBL720147 0.81 MEN1 (0.34) KDM4EPKMRCE1MEN1GAA
SCHEMBL720413 0.81 KDM4E (0.33) KDM4EPKMRCE1MEN1GAA

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
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 2202/4885PKM 1703/4885RCE1 2375/4885

“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.