SCHEMBL710035

SCHEMBL710035

FC(F)(F)c1cnc(-c2cc(C(F)(F)F)nc3ncnn23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 1/20 0.43
PDE2A O00408 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 3/20 0.38
MBOAT4 Q96T53 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36

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
SCHEMBL709421 0.86 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL710462 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL710042 0.83 PDE2A (0.42) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL707450 0.82 PDE2A (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL710046 0.82 PDE2A (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL708758 0.81 EGLN2 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL3378140 0.80 MBOAT4 (0.43) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL710184 0.80 PDE2A (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL18358397 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBPDE2A
SCHEMBL8819547 0.72 KMT2A (0.59) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118113-B1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA (JP) 2013-01-30 EP disclosed
US-8124760-B2 Pyridyl-triazolopyrimidine derivative or its salt, pesticide containing it and its production process ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-28 US disclosed
US-20100087452-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD (JP) 2010-04-08 US disclosed
EP-2118113-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-18 EP disclosed
WO-2008099902-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-08-21 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 (1 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-20100087452-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS SCN5A, CHRNA5, NR5A2 ALDH1A1 1866/4885SMN1; SMN2 3356/4885KDM4E 1717/4885

“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.