SCHEMBL2044462

SCHEMBL2044462

COC(=O)Cc1c(C)nc2nc(C(C)C)nn2c1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 3/20 0.41
USP2 O75604 1/20 0.41
KDM5B Q9UGL1 1/20 0.40
DPP4 P27487 2/20 0.38
DCTPP1 Q9H773 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2043841 0.88 DPP4 (0.43) KDM4EALDH1A1TP53KMT2AGAA
SCHEMBL2040208 0.80 KDM4E (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL2040441 0.79 KDM4E (0.42) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL16457610 0.75 PSIP1 (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL1227522 0.66 KDM4E (0.51) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL15226888 0.65 KDM4E (0.52) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL2046120 0.63 KDM4E (0.47) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL1227046 0.63 KDM4E (0.47) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL15226774 0.62 KDM4E (0.51) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL99343 0.61 KDM4E (0.46) KDM4EALDH1A1TP53HPGDHSD17B10

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
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP claimed
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
CN-102770181-A Novel antiviral compounds UNIV LEUVEN KATH 2012-11-07 CN 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 2080/4885ALDH1A1 1275/4885TP53 4179/4885

“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.