SCHEMBL5459623

SCHEMBL5459623

CC(C)(C)CC(=O)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KMT2A Q03164 4/20 0.58
NT5E P21589 1/20 0.58
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
JAK2 O60674 1/20 0.57
TYK2 P29597 1/20 0.57
STAT3 P40763 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 2/20 0.55
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.50
FLT3 P36888 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
NAMPT P43490 1/20 0.50

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
SCHEMBL5473602 0.83 KDM4E (0.73) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL18674106 0.82 KDM4E (0.67) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL14716526 0.82 KDM4E (1.00) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL12812276 0.81 NAMPT (0.57) KDM4EL3MBTL1LMNAHTTNAMPT
SCHEMBL12042503 0.81 KDM4E (0.76) KDM4EL3MBTL1KMT2ANT5EGAA
Methyl Alcohol SCHEMBL28281305 0.78 GAA (0.84) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL22064300 0.78 KDM4E (0.71) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL1554238 0.78 KDM4E (0.71) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL1898755 0.78 GAA (0.91) KDM4EL3MBTL1KMT2ANT5ELMNA
SCHEMBL6558299 0.78 KDM4E (0.65) KDM4EL3MBTL1KMT2ANT5ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO 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 (1 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 KDM4E 569/4885L3MBTL1 2423/4885KMT2A 818/4885

“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.