Sugi Predict

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SCHEMBL505358

SCHEMBL505358

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 1.00
▸ DHODH Q02127 5/20 1.00
▸ PARP2 Q9UGN5 3/20 0.80
▸ CHEK2 O96017 2/20 0.79
▸ PLK4 O00444 1/20 0.75
▸ MAPK13 O15264 1/20 0.75
▸ DYRK3 O43781 1/20 0.75
▸ ROCK2 O75116 1/20 0.75
▸ RPS6KA5 O75582 1/20 0.75
▸ PRKD3 O94806 1/20 0.75
▸ MAP4K4 O95819 1/20 0.75
▸ PIM1 P11309 1/20 0.75
▸ PHKG2 P15735 1/20 0.75
▸ PRKACA P17612 1/20 0.75
▸ RPS6KB1 P23443 1/20 0.75
▸ CSNK1D P48730 1/20 0.75
▸ CLK2 P49760 1/20 0.75
▸ GSK3A P49840 1/20 0.75
▸ PRKX P51817 1/20 0.75
▸ PRKCZ Q05513 1/20 0.75

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
SCHEMBL29412034 0.97 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL458836 0.97 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL28840590 0.89 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL29790551 0.89 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL7316597 0.89 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL29380664 0.89 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL423551 0.89 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL505661 0.88 DHODH (1.00) PARP1DHODH
SCHEMBL3341660 0.87 PARP1 (1.00) PARP1DHODHPARP2CHEK2PLK4
SCHEMBL3159315 0.87 PARP1 (0.78) PARP1DHODHPARP2CHEK2PLK4

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 PARP1 1086/4885DHODH 1/4885PARP2 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.