SCHEMBL505235

SCHEMBL505235

O=C(O)c1cccc2nc(-c3ccc(-c4ccccn4)cc3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.56
PARP1 P09874 2/20 0.56
PARP2 Q9UGN5 1/20 0.56
CHEK2 O96017 1/20 0.52
AURKA O14965 1/20 0.47
SCD O00767 1/20 0.46
TGFBR1 P36897 1/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KDM4A O75164 1/20 0.43

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
SCHEMBL696548 0.85 DHODH (0.56) DHODHPARP1RAB9AALDH1A1NPC1
SCHEMBL505616 0.83 DHODH (0.52) DHODHPARP1PARP2CHEK2AURKA
SCHEMBL15958954 0.81 PARP1 (0.62) DHODHPARP1RAB9AALDH1A1HPGD
SCHEMBL6840234 0.81 ALDH1A1 (0.52) DHODHPARP1PARP2CHEK2RAB9A
SCHEMBL6840181 0.80 TNKS (0.54) DHODHPARP1PARP2CHEK2RAB9A
SCHEMBL6840235 0.80 TNKS (0.54) DHODHPARP1PARP2CHEK2RAB9A
SCHEMBL505009 0.80 DHODH (0.65) DHODHCHEK2
SCHEMBL505273 0.79 PARP1 (0.52) DHODHPARP1CHEK2ALDH1A1GAA
SCHEMBL6805509 0.78 PARP1 (0.53) DHODHPARP1PARP2CHEK2RAB9A
SCHEMBL505582 0.78 DHODH (0.64) DHODHPARP1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD DHODH 1/4885PARP1 1086/4885PARP2 1017/4885

“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.