SCHEMBL1826191

SCHEMBL1826191

COCc1nc(-n2cncn2)ccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.33
PDE4D Q08499 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL1825556 0.86 MAPT (0.33) CD38MEN1KMT2AMAPTKDM4E
SCHEMBL1822912 0.84 KDM4E (0.36) CD38MEN1KMT2AMAPTKDM4E
SCHEMBL1822657 0.81 STING1 (0.40) CD38MEN1KMT2AMAPTKDM4E
SCHEMBL1826021 0.80 SMN1; SMN2 (0.36) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1825085 0.79 MAPT (0.38) CD38MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL1825087 0.79 STING1 (0.39) CD38MEN1KMT2AMAPTKDM4E
SCHEMBL1822784 0.78 MAPT (0.33) CD38MEN1KMT2AMAPTHSP90AA1
SCHEMBL1823863 0.78 MAPT (0.33) CD38MEN1KMT2AMAPTHSP90AA1
SCHEMBL1822780 0.78 MAPT (0.33) CD38MEN1KMT2AMAPTHSP90AA1
SCHEMBL1822776 0.77 MAPT (0.37) CD38MEN1KMT2AMAPTKDM4E

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 CD38 3937/4885MEN1 4606/4885KMT2A 590/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK CD38 3862/4885MEN1 4695/4885KMT2A 577/4885

“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.