SCHEMBL2040441

SCHEMBL2040441

COC(=O)Cc1c(C)nc2nc(C(C)C)nn2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
GAA P10253 3/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2040208 0.86 KDM4E (0.43) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL2044462 0.79 KDM4E (0.50) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL15226888 0.76 KDM4E (0.52) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL462614 0.74 KDM4E (0.42) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL2042924 0.73 PSIP1 (0.31)
SCHEMBL15226807 0.72 KDM4E (0.48) KDM4EGAAALDH1A1L3MBTL1TP53
SCHEMBL461816 0.71 KDM4E (0.40) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL470412 0.70 MAPT (0.40) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL13266540 0.69 L3MBTL1 (0.44) KDM4EGAAKDM5BALDH1A1L3MBTL1
SCHEMBL2044748 0.69 KDM4E (0.42) KDM4EGAAKDM5BALDH1A1L3MBTL1

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
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2080/4885GAA 30/4885KDM5B 2698/4885

“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.