SCHEMBL411853

SCHEMBL411853

Fc1cccc(F)c1-c1nc(N/N=C/c2ccc(OC(F)(F)C(F)F)cc2)nc(Nc2ccc(Cl)nc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
EGFR P00533 2/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
ALK Q9UM73 1/20 0.38
DDX3X O00571 2/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKCA P17252 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL411854 1.00 CA12 (0.38) CA12CA1CA2CA9EGFR
SCHEMBL412262 0.96 EGFR (0.38) CA12CA1CA2CA9EGFR
SCHEMBL412263 0.96 EGFR (0.38) CA12CA1CA2CA9EGFR
SCHEMBL461260 0.94 EGFR (0.41) CA12CA1CA2CA9EGFR
SCHEMBL17836744 0.94 EGFR (0.41) CA12CA1CA2CA9EGFR
SCHEMBL416735 0.92 EGFR (0.42) CA12CA1CA2CA9EGFR
SCHEMBL417505 0.92 EGFR (0.42) CA12CA1CA2CA9EGFR
SCHEMBL10241962 0.92 EGFR (0.42) CA12CA1CA2CA9EGFR
SCHEMBL412991 0.91 EGFR (0.37) CA12CA1CA2CA9EGFR
SCHEMBL416946 0.91 EGFR (0.37) CA12CA1CA2CA9EGFR

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 13 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
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

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 CA12 4780/4885CA1 4454/4885CA2 3669/4885
US-20120022066-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 CA12 4780/4885CA1 4454/4885CA2 3669/4885
US-20130267705-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 CA12 4780/4885CA1 4454/4885CA2 3669/4885

“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.