SCHEMBL1823627

SCHEMBL1823627

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
STING1 Q86WV6 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.33
ALDH1A1 P00352 3/20 0.33
F9 P00740 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1822912 0.81 KDM4E (0.36) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1823085 0.79 GABRP (0.46) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL354152 0.78 NNMT (0.45) KDM4EPOLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1822852 0.78 GABRP (0.45) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1822851 0.78 KDM4E (0.40) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL15373686 0.73 KDM4E (0.38) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1825595 0.73 LMNA (0.36) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1825598 0.73 LMNA (0.36) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1826985 0.73 LMNA (0.36) KDM4EPOLBMAPTHTTSMN1; SMN2
SCHEMBL1822280 0.73 MAPT (0.41) KDM4EPOLBMAPTHTTSMN1; SMN2

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

“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.