SCHEMBL1824015

SCHEMBL1824015

COCCOCc1nc(-n2cncn2)ccc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.34
STING1 Q86WV6 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
GLA P06280 1/20 0.31
CYP2D6 P10635 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
SCHEMBL1825085 0.91 MAPT (0.38) CD38KDM4EMAPTSTING1KMT2A
Hydrochloric Acid SCHEMBL2400662 0.89 STING1 (0.38) CD38KDM4EMAPTSTING1KMT2A
SCHEMBL1822657 0.80 STING1 (0.40) CD38KDM4EMAPTSTING1KMT2A
Hydrochloric Acid SCHEMBL1825087 0.79 STING1 (0.39) CD38KDM4EMAPTSTING1KMT2A
SCHEMBL1822851 0.74 KDM4E (0.40) KDM4EMAPTSTING1KMT2APOLB
Hydrochloric Acid SCHEMBL1822891 0.72 ALDH1A1 (0.39) KDM4EMAPTSTING1KMT2AHTT
SCHEMBL1823362 0.72 MAPT (0.33) CD38KDM4EMAPTKMT2AHTT
SCHEMBL1826191 0.72 CD38 (0.36) CD38KDM4EMAPTSTING1KMT2A
SCHEMBL1824077 0.72 MAPT (0.35) CD38KDM4EMAPTKMT2APOLB
SCHEMBL3276376 0.72 PDE4B (0.38) LMNARAB9A

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 CD38 3937/4885KDM4E 1139/4885MAPT 2616/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK CD38 3862/4885KDM4E 1148/4885MAPT 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.