SCHEMBL413166

SCHEMBL413166

FC(F)(F)Oc1ccc(/C=N\Nc2nc(Nc3ccc(Cl)cc3)nc(-c3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.52
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DDX3X O00571 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
EGFR P00533 1/20 0.43
MET P08581 1/20 0.43
ROS1 P08922 1/20 0.43
ALK Q9UM73 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10242558 1.00 CHRNA7 (0.52) CHRNA7CA12CA1CA2CA9
SCHEMBL413167 1.00 CHRNA7 (0.52) CHRNA7CA12CA1CA2CA9
SCHEMBL10242564 0.94 CHRNA7 (0.48) CHRNA7CA12CA1CA2CA9
SCHEMBL412717 0.94 CHRNA7 (0.48) CHRNA7CA12CA1CA2CA9
SCHEMBL412716 0.94 CHRNA7 (0.48) CHRNA7CA12CA1CA2CA9
SCHEMBL411928 0.93 CHRNA7 (0.53) CHRNA7CA12CA1CA2CA9
SCHEMBL10241404 0.93 CHRNA7 (0.53) CHRNA7CA12CA1CA2CA9
SCHEMBL417708 0.93 CHRNA7 (0.53) CHRNA7CA12CA1CA2CA9
SCHEMBL414775 0.91 CHRNA7 (0.51) CHRNA7CA12CA1CA2CA9
SCHEMBL414776 0.91 CHRNA7 (0.51) CHRNA7CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP claimed
US-9321735-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2016-04-26 US claimed
US-20130267705-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-10-10 US claimed
US-20130150365-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-06-13 US claimed
US-8389718-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2013-03-05 US claimed
US-20120022066-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2012-01-26 US claimed
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP disclosed
US-9321735-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2016-04-26 US disclosed
US-8785630-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2014-07-22 US disclosed
US-20130267705-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-10-10 US disclosed
US-20130150365-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-06-13 US disclosed
EP-2595965-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2013-05-29 EP disclosed
US-8389718-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2013-03-05 US disclosed
US-20120022066-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2012-01-26 US disclosed
WO-2012012528-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2012-01-26 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-20130150365-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 CHRNA7 2075/4885CA12 4780/4885CA1 4454/4885
US-20120022066-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 CHRNA7 2075/4885CA12 4780/4885CA1 4454/4885
US-20130267705-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 CHRNA7 2075/4885CA12 4780/4885CA1 4454/4885

“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.