SCHEMBL505325

SCHEMBL505325

COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.77
PKN2 Q16513 1/20 0.77
DHODH Q02127 13/20 0.73
PARP1 P09874 7/20 0.70
PLA2G2A P14555 1/20 0.60
ALOX15 P16050 1/20 0.60
PTGS2 P35354 1/20 0.60
CHEK2 O96017 1/20 0.59
PARP2 Q9UGN5 1/20 0.56

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
SCHEMBL7322715 0.97 PKN1 (0.81) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL2815222 0.90 PKN1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL29087633 0.90 PKN1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL22453146 0.88 PKN1 (0.75) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL2811097 0.88 PARP1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
Acetic Acid SCHEMBL7318987 0.88 PARP1 (0.72) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL1170810 0.87 PKN1 (0.77) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL25220279 0.87 PKN1 (1.00) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL30440938 0.87 PKN1 (1.00) PKN1PKN2DHODHPARP1PLA2G2A
SCHEMBL7313257 0.85 PKN1 (0.74) PKN1PKN2DHODHPARP1PLA2G2A

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 11 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
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 PKN1 3639/4885PKN2 3767/4885DHODH 1/4885

“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.