SCHEMBL2400982

SCHEMBL2400982

CSCc1nc(-n2cncn2)ccc1C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
STING1 Q86WV6 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GRK6 P43250 1/20 0.31
F9 P00740 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 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
SCHEMBL1827028 0.89 STING1 (0.39) MAPTSTING1KDM4EHTTHSP90AA1
Hydrochloric Acid SCHEMBL2400986 0.88 STING1 (0.39) MAPTSTING1KDM4EHTTHSP90AA1
SCHEMBL1825085 0.84 MAPT (0.38) MAPTSTING1KDM4EHTTHSP90AA1
SCHEMBL1825556 0.80 MAPT (0.33) MAPTSTING1KDM4EHTTMEN1
SCHEMBL1824291 0.80 MAPT (0.31) MAPTKDM4EPOLB
SCHEMBL1822851 0.79 KDM4E (0.40) MAPTSTING1KDM4EHTTHSP90AA1
SCHEMBL1823873 0.78
SCHEMBL1824015 0.78 CD38 (0.35) MAPTSTING1KDM4EHTTHSP90AA1
SCHEMBL3688671 0.77 KDM4E (0.40) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL1822893 0.76 LMNA (0.36) MAPTSTING1KDM4EHTTHSP90AA1

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 4 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

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 2616/4885STING1 4334/4885KDM4E 1139/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2532/4885STING1 4479/4885KDM4E 1148/4885

“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.