SCHEMBL1936766

SCHEMBL1936766

O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2cccc(Br)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.32
PDK2 Q15119 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ORAI1 Q96D31 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
SCHEMBL1937598 0.90 PDK2 (0.36) PDK2CA1CA2
SCHEMBL871382 0.89 PDK2 (0.36) TYMSPDK2CA1CA2ORAI1
SCHEMBL21863425 0.89 PDK2 (0.36) TYMSPDK2CA1CA2ORAI1
SCHEMBL1936965 0.86 FABP4 (0.34) TYMSPDK2CA1CA2ORAI1
SCHEMBL12173998 0.85
SCHEMBL870417 0.83 PDK2 (0.34) PDK2CA1CA2ORAI1
SCHEMBL2780339 0.82 ACLY (0.38) PDK2ORAI1
SCHEMBL13458407 0.82 PDK2 (0.33) PDK2ORAI1
SCHEMBL30313890 0.82 ACLY (0.38) PDK2ORAI1
SCHEMBL27964299 0.82 HPGD (0.35) PDK2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9282742-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-03-15 US disclosed
US-9282742-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-03-15 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
EP-2331535-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-22 EP disclosed
EP-2331535-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-22 EP disclosed
US-20140350061-A1 INSECTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-11-27 US disclosed
US-20140350061-A1 INSECTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-11-27 US disclosed
US-20140350061-A1 INSECTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-11-27 US disclosed
US-20110269804-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-03 US disclosed
US-20110166193-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-07-07 US disclosed
US-20110166193-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-07-07 US disclosed
US-20110166193-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-07-07 US disclosed
EP-2331535-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-06-15 EP disclosed
EP-2331536-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-06-15 EP disclosed
WO-2010025998-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-03-11 WO disclosed
WO-2010025998-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-03-11 WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 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 (3 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-20140350061-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 TYMS 4252/4885PDK2 4141/4885CA1 631/4885
US-20110166193-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, MSL1 TYMS 4066/4885PDK2 3788/4885CA1 1048/4885
US-20110269804-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, C1R TYMS 4540/4885PDK2 4816/4885CA1 1254/4885

“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.