SCHEMBL1822931

SCHEMBL1822931

Cc1nc(-n2cncn2)ccc1C(=O)C1C(=O)CCC(C)(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL1826201 0.85 KDM4E (0.35) KDM4EPOLBHCRTR1HCRTR2
SCHEMBL1826044 0.78 KDM4E (0.33) KDM4EPOLBHCRTR1HCRTR2
SCHEMBL15489014 0.76 KDM4E (0.31) KDM4EPOLB
SCHEMBL1823085 0.73 GABRP (0.46) KDM4EPOLB
SCHEMBL354152 0.72 NNMT (0.45) KDM4EPOLBHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL1822852 0.72 GABRP (0.45) KDM4EPOLB
SCHEMBL1822851 0.72 KDM4E (0.40) KDM4EPOLBHCRTR1HCRTR2
SCHEMBL1823362 0.69 MAPT (0.33) KDM4E
SCHEMBL15489015 0.69 KDM4E (0.33) KDM4EPOLBHCRTR1HCRTR2
SCHEMBL1825838 0.69 HPD (0.40)

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 KDM4E 1139/4885POLB 3704/4885HCRTR1 313/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK KDM4E 1148/4885POLB 3539/4885HCRTR1 356/4885

“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.