SCHEMBL1825209

SCHEMBL1825209

Cc1nc(-n2cncn2)ccc1C(=O)c1cnoc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1822437 0.81 PDE2A (0.43) MAPTKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL15373686 0.76 KDM4E (0.38) MAPTKDM4EPOLBLMNAHTT
SCHEMBL1824742 0.75 KDM4E (0.37) MAPTKDM4EPOLBLMNAHTT
SCHEMBL1823085 0.74 GABRP (0.46) MAPTKDM4EPOLBHTTMEN1
SCHEMBL354152 0.73 NNMT (0.45) MAPTKDM4EPOLBHTTMEN1
Hydrochloric Acid SCHEMBL1822852 0.73 GABRP (0.45) MAPTKDM4EPOLBLMNAHTT
SCHEMBL1822851 0.73 KDM4E (0.40) MAPTKDM4EPOLBLMNAHTT
SCHEMBL1823627 0.71 KDM4E (0.38) MAPTKDM4EPOLBLMNAHTT
SCHEMBL1823972 0.70 MAPT (0.35) MAPTKDM4EPOLBLMNAHTT
SCHEMBL1825469 0.70 KDM4E (0.34) MAPTKDM4EPOLBHTTMEN1

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 2616/4885KDM4E 1139/4885POLB 3704/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2532/4885KDM4E 1148/4885POLB 3539/4885

“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.