SCHEMBL505489

SCHEMBL505489

O=C(O)c1cccc2nc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.57
RUNX1 Q01196 1/20 0.49
CHEK2 O96017 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GRK6 P43250 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PDE2A O00408 2/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41

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
SCHEMBL505208 0.91 DHODH (0.70) DHODHRUNX1TRPV1
SCHEMBL505559 0.84 TNKS (0.55) DHODHCHEK2KDM4C
SCHEMBL505009 0.83 DHODH (0.65) DHODHCHEK2
SCHEMBL10267390 0.81 DHODH (0.55) DHODHCHEK2
SCHEMBL10211814 0.81 DHODH (0.83) DHODHCHEK2
SCHEMBL6840235 0.81 TNKS (0.54) DHODHCHEK2
SCHEMBL696548 0.80 DHODH (0.56) DHODHKDM4C
SCHEMBL505273 0.80 PARP1 (0.52) DHODHCHEK2
SCHEMBL13144816 0.80 DHODH (0.55) DHODHCHEK2
SCHEMBL15958954 0.79 PARP1 (0.62) DHODH

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 1/4885RUNX1 1241/4885CHEK2 3343/4885

“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.