SCHEMBL414458

SCHEMBL414458

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
CHRNA7 P36544 1/20 0.42
DDX3X O00571 3/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKCA P17252 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC2A1 P11166 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL414459 1.00 CA12 (0.46) CA12CA1CA2CA9CHRNA7
SCHEMBL415831 0.96 CA12 (0.44) CA12CA1CA2CA9CHRNA7
SCHEMBL415832 0.96 CA12 (0.44) CA12CA1CA2CA9CHRNA7
SCHEMBL414776 0.92 CHRNA7 (0.51) CA12CA1CA2CA9CHRNA7
SCHEMBL10242560 0.92 CHRNA7 (0.51) CA12CA1CA2CA9CHRNA7
SCHEMBL414775 0.92 CHRNA7 (0.51) CA12CA1CA2CA9CHRNA7
SCHEMBL414151 0.91 CA12 (0.43) CA12CA1CA2CA9CHRNA7
SCHEMBL412318 0.91 CA12 (0.43) CA12CA1CA2CA9CHRNA7
SCHEMBL411854 0.90 CA12 (0.38) CA12CA1CA2CA9DDX3X
SCHEMBL411853 0.90 CA12 (0.38) CA12CA1CA2CA9DDX3X

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 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.