SCHEMBL1823972

SCHEMBL1823972

CCn1cc(C(=O)c2ccc(-n3cncn3)nc2C)c(O)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 4/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.30
STING1 Q86WV6 1/20 0.30
ATM Q13315 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
SCHEMBL1824742 0.76 KDM4E (0.37) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1823085 0.75 GABRP (0.46) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1825469 0.75 KDM4E (0.34) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL15373686 0.74 KDM4E (0.38) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL354152 0.74 NNMT (0.45) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1822851 0.74 KDM4E (0.40) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1822852 0.74 GABRP (0.45) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL15489015 0.71 KDM4E (0.33) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1825209 0.70 MAPT (0.39) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL15489014 0.70 KDM4E (0.31) KDM4EPOLB

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 6 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
CN-101809013-A herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG 2010-08-18 CN 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 2616/4885HSP90AA1 480/4885HTT 719/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK MAPT 2532/4885HSP90AA1 617/4885HTT 621/4885

“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.