SCHEMBL1937598

SCHEMBL1937598

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
CXCR5 P32302 1/20 0.31
APLNR P35414 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1936766 0.90 TYMS (0.32) PDK2CA1CA2
SCHEMBL869547 0.89 PDK2 (0.42) PDK2CA1CA2KDM4EMAPT
SCHEMBL12173998 0.84
SCHEMBL16692835 0.83 PDK2 (0.40) PDK2KDM4EMAPTMEN1MAPK1
SCHEMBL869871 0.83 PDK2 (0.40) PDK2CA1CA2KDM4EMAPT
SCHEMBL980171 0.83 PDK2 (0.39) PDK2KDM4EMAPTKMT2AALDH1A1
SCHEMBL516607 0.82 PDK2 (0.37) PDK2CA1CA2KDM4EMAPK1
SCHEMBL17049136 0.81 PDK2 (0.37) PDK2CA1CA2
SCHEMBL738679 0.81 CA1 (0.37) PDK2CA1CA2KDM4EMAPT
SCHEMBL870037 0.81 PDK2 (0.43) PDK2CA1CA2KDM4EMAPT

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 PDK2 4141/4885CA1 631/4885CA2 195/4885
US-20110166193-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, MSL1 PDK2 3788/4885CA1 1048/4885CA2 685/4885
US-20110269804-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, C1R PDK2 4816/4885CA1 1254/4885CA2 533/4885

“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.