SCHEMBL505315

SCHEMBL505315

O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.82
PARP1 P09874 6/20 0.78
PARP2 Q9UGN5 2/20 0.78
PKN1 Q16512 4/20 0.73
PKN2 Q16513 4/20 0.73
PLK4 O00444 1/20 0.73
MAPK13 O15264 1/20 0.73
DYRK3 O43781 1/20 0.73
ROCK2 O75116 1/20 0.73
RPS6KA5 O75582 1/20 0.73
PRKD3 O94806 1/20 0.73
MAP4K4 O95819 1/20 0.73
CHEK2 O96017 1/20 0.73
PIM1 P11309 1/20 0.73
PHKG2 P15735 1/20 0.73
PRKACA P17612 1/20 0.73
RPS6KB1 P23443 1/20 0.73
CSNK1D P48730 1/20 0.73
CLK2 P49760 1/20 0.73
GSK3A P49840 1/20 0.73

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
SCHEMBL7474958 0.97 PKN1 (0.77) DHODHPARP1PARP2PKN1PKN2
SCHEMBL505661 0.90 DHODH (1.00) DHODHPARP1
SCHEMBL10212017 0.87 PARP1 (0.97) DHODHPARP1PARP2
SCHEMBL1298432 0.87 DHODH (0.94) DHODHPARP1
SCHEMBL10211812 0.86 DHODH (0.82) DHODHPARP1PARP2
SCHEMBL10211815 0.85 PARP1 (0.77) DHODHPARP1PARP2
SCHEMBL10212033 0.85 DHODH (0.84) DHODHPARP1PARP2PKN1PKN2
SCHEMBL7479538 0.84 PKN1 (0.75) DHODHPARP1PARP2PKN1PKN2
SCHEMBL6809991 0.84 PKN1 (1.00) DHODHPARP1PARP2PKN1PKN2
SCHEMBL505262 0.84 DHODH (0.74) DHODHPARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP 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
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.