SCHEMBL6512078

SCHEMBL6512078

COC(=O)c1cc2ncccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
FGFR1 P11362 3/20 0.43
SRC P12931 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CASP1 P29466 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14413693 0.83 BAZ2B (0.46) KDM4EALOX15HTTFGFR1CNR2
SCHEMBL6513795 0.83 MCL1 (0.56) KDM4EFGFR1CNR2ALDH1A1HPGD
SCHEMBL13682851 0.79 MAPK1 (0.46) KDM4EHTTCNR2ALDH1A1HPGD
SCHEMBL10110861 0.79 MAPT (0.38) KDM4EALOX15HTTCNR2ALDH1A1
SCHEMBL1423541 0.76 L3MBTL1 (0.49) KDM4EL3MBTL1ALOX15HTTCNR2
SCHEMBL20552536 0.75 L3MBTL1 (0.55) KDM4EL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL4486403 0.74 L3MBTL1 (0.67) KDM4EL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL29834903 0.74 L3MBTL1 (0.67) KDM4EL3MBTL1ALDH1A1HPGDMAPT
Bromide SCHEMBL31705791 0.73 GRM4 (0.43) KDM4ECNR2ALDH1A1HPGDMAPT
SCHEMBL2276664 0.73 L3MBTL1 (0.52) KDM4EL3MBTL1ALDH1A1HPGDMAPT

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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 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 (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-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PCNA, POLM, PBRM1 KDM4E 3756/4885L3MBTL1 750/4885ALOX15 4717/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 KDM4E 225/4885L3MBTL1 1841/4885ALOX15 3049/4885

“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.