SCHEMBL721140

SCHEMBL721140

C=Cc1ccc(-c2nc(N)c(C=C)c(C(=O)OC)n2)c(F)c1N(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL119041 0.89 KDM4E (0.33) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL29556353 0.85 KDM4E (0.33) KMT2AKDM4EALDH1A1
SCHEMBL16035178 0.85 KDM4E (0.33) KMT2AKDM4EALDH1A1
SCHEMBL1918801 0.81 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL119092 0.79 KMT2A (0.35) GAAKMT2AKDM4EALDH1A1
SCHEMBL116824 0.79 MEP1B (0.36) KDM4EALDH1A1
SCHEMBL719670 0.79 L3MBTL1 (0.31) —
SCHEMBL719369 0.78 KDM4E (0.33) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL719370 0.78 KDM4E (0.33) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL720413 0.78 KDM4E (0.33) MEN1GAAKMT2AKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102395568-A Pyrimidine derivatives and their use as herbicides SYNGENTA LTD 2012-03-28 — — CN 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
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
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 MEN1 4540/4885GAA 993/4885KMT2A 2226/4885

“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.

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