SCHEMBL708584

SCHEMBL708584

FC(F)(F)c1ccc(-c2cc(-c3ccccc3)nc3ncnn23)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
ALDH1A1 P00352 12/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TSHR P16473 2/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HPGD P15428 5/20 0.62
POLB P06746 2/20 0.62
GAA P10253 3/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL710183 0.79 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL707344 0.79 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL707319 0.77 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL3180184 0.74 CYP11B1 (0.55) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL4028523 0.73 CYP11B1 (0.54) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL9823734 0.69 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL5146982 0.69 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL5332533 0.69 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL11483564 0.69 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL15452766 0.67 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2TSHRMAPT

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 3 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

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 KDM4E 1717/4885ALDH1A1 1866/4885SMN1; 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.