SCHEMBL1822912

SCHEMBL1822912

Cc1nc(-n2cncn2)ccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
STING1 Q86WV6 1/20 0.33
CD38 P28907 1/20 0.33
SYK P43405 1/20 0.32
PDE4D Q08499 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32
F9 P00740 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL1826191 0.84 CD38 (0.36) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1825556 0.84 MAPT (0.33) KDM4EPOLBMAPTHTTSMYD3
SCHEMBL1826021 0.83 SMN1; SMN2 (0.36) KDM4EMAPTHTTSMN1; SMN2SMYD3
SCHEMBL1823627 0.81 KDM4E (0.38) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL8490965 0.79 F9 (0.42) KDM4EMAPTHTTHSP90AA1SMN1; SMN2
SCHEMBL1823085 0.77 GABRP (0.46) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL354152 0.76 NNMT (0.45) KDM4EPOLBMAPTHTTHSP90AA1
Hydrochloric Acid SCHEMBL1822852 0.76 GABRP (0.45) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL1822851 0.76 KDM4E (0.40) KDM4EPOLBMAPTHTTHSP90AA1
SCHEMBL8525438 0.76 HCRTR1 (0.45) POLBHCRTR1HCRTR2SMYD3MEN1

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 12 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-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
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-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 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-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
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 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.