SCHEMBL1825111

SCHEMBL1825111

CCO/C=C(\C(=O)c1ccc(-n2cncn2)nc1C(F)(F)F)C(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL1825114 1.00 MAPT (0.36) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL2400933 1.00 MAPT (0.36) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL1822260 0.87 MAPT (0.41) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL1822258 0.87 MAPT (0.41) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL1822818 0.87 MAPT (0.41) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL1822776 0.84 MAPT (0.37) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL1822771 0.84 MAPT (0.37) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL2420856 0.84 MAPT (0.37) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL2401819 0.84 LMNA (0.33) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL1824613 0.84 LMNA (0.33) MAPTSMN1; SMN2HSP90AA1HTTKDM4E

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
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 EP 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 (2 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2616/4885SMN1; SMN2 4529/4885HSP90AA1 480/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2532/4885SMN1; SMN2 4574/4885HSP90AA1 617/4885

“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.