SCHEMBL709666

SCHEMBL709666

CCOC(=O)c1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AGBL2 Q5U5Z8 1/20 0.44
POLB P06746 3/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7787959 0.87 AGBL2 (0.51) L3MBTL1MAPTALDH1A1HPGDNPSR1
SCHEMBL3685180 0.84 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1HPGDNPSR1
SCHEMBL31233701 0.84 NOTUM (0.49) MAPTALDH1A1HPGDAGBL2POLB
SCHEMBL16346244 0.83 L3MBTL1 (0.45) L3MBTL1MAPTALDH1A1HPGDNPSR1
SCHEMBL709544 0.83 L3MBTL1 (0.60) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL16456041 0.83 CFTR (0.53) L3MBTL1MAPTALDH1A1HPGDNPSR1
SCHEMBL30453140 0.83 L3MBTL1 (0.60) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL22440641 0.80 GABRA1 (0.42) MAPTALDH1A1HPGDNPSR1GAA
SCHEMBL20098245 0.80 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1HPGDNPSR1
SCHEMBL18670295 0.80 POLB (0.45) L3MBTL1MAPTALDH1A1HPGDNPSR1

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 L3MBTL1 2910/4885MAPT 4356/4885ALDH1A1 1866/4885

“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.