SCHEMBL707954

SCHEMBL707954

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.46
AGBL2 Q5U5Z8 1/20 0.44
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
CFTR P13569 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL11126436 0.84 GLA (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL26102105 0.83 GLA (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
Hydrochloric Acid SCHEMBL26102108 0.83 GLA (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL16389665 0.82 AGBL2 (0.54) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL31233701 0.82 NOTUM (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL9928605 0.81 MAPT (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL30134211 0.81 MAPT (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL707320 0.79 ALDH1A1 (0.63) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL15738696 0.79 CFTR (0.57) MAPTKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL22440661 0.79 CFTR (0.47) KDM4ESMN1; SMN2ALDH1A1AGBL2HPGD

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 7 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
CN-101611037-B Pyridyl-triazolopyrimidine derivative or its salt, pesticide containing it and its production process ISHIHARA SANGYO KAISHA 2012-11-28 CN 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
CN-101611037-A Pyridyl-triazolopyrimidine derivative or its salt, the sterilant that comprises it and its preparation method ISHIHARA SANGYO KAISHA (JP) 2009-12-23 CN 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 MAPT 4356/4885KDM4E 1717/4885SMN1; SMN2 3356/4885

“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.