Sugi Predict

Sugi Predict / Compounds / SCHEMBL6518918

SCHEMBL6518918

SCHEMBL6518918

CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(=O)c4ccccc4c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.50
▸ AURKB Q96GD4 4/20 0.50
▸ DRD1 P21728 1/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ IKBKB O14920 6/20 0.42
▸ CHUK O15111 6/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ MAPK13 O15264 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ RET P07949 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ SIK1 P57059 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ WNK3 Q9BYP7 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL6522272 0.85 AURKA (0.56) AURKAAURKBDRD1PARP1IKBKB
SCHEMBL6531769 0.85 NEK1 (0.58) AURKAAURKBIKBKBCHUKROCK1
SCHEMBL6522008 0.85 AURKA (0.49) AURKAAURKBPARP1IKBKBCHUK
SCHEMBL12846362 0.82 AURKA (0.57) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL12846620 0.82 AURKA (0.63) AURKAAURKBPARP1IKBKBCHUK
SCHEMBL13680303 0.80 AURKA (0.67) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL6519395 0.80 AURKA (0.65) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL6531867 0.80 AURKA (0.57) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL6531042 0.79 MEN1 (0.56) AURKAAURKBPARP1NPC1RAB9A
SCHEMBL6518123 0.77 GAA (0.50) AURKAAURKBPARP1IKBKBCHUK

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-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 — — US disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 — — CN disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 — — EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 — — US disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 — — CN disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 — — 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AURKA 538/4885AURKB 487/4885DRD1 3960/4885

“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.