SCHEMBL720342

SCHEMBL720342

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 3/20 0.31
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.31
RCE1 Q9Y256 1/20 0.31
POLB P06746 1/20 0.31
GRM6 O15303 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 3/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL718835 0.88 KDM4E (0.35) TP53KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL718750 0.88 KDM4E (0.33) KDM4EALDH1A1PKMRCE1MEN1
SCHEMBL721102 0.86 KDM4E (0.35) KDM4ERAB9AALDH1A1PKMRCE1
SCHEMBL119041 0.84 KDM4E (0.33) KDM4EALDH1A1PKMRCE1MEN1
SCHEMBL10252352 0.83 KDM4E (0.35) KDM4ERAB9AHSD17B10HPGDALDH1A1
SCHEMBL116281 0.82 KDM4E (0.36) KDM4EHSD17B10HPGDALDH1A1PKM
SCHEMBL119092 0.82 KMT2A (0.35) TP53KDM4ERAB9AHSD17B10HPGD
SCHEMBL1397018 0.81 ALDH1A1 (0.36) TP53KDM4ERAB9AHSD17B10HPGD
SCHEMBL13893296 0.80 RAB9A (0.35) TP53KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL719369 0.79 KDM4E (0.33) KDM4EALDH1A1PKMRCE1MEN1

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 TP53 664/4885KDM4E 2202/4885RAB9A 3566/4885

“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.