SCHEMBL3455072

SCHEMBL3455072

CN(C)CCNC(=O)c1cccc2c1c(=O)[nH]c1nccc(Nc3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3)c12

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.69
AURKB Q96GD4 12/20 0.69
CHEK2 O96017 1/20 0.69
CSF1R P07333 1/20 0.69
RET P07949 1/20 0.69
FLT4 P35916 1/20 0.69
ABL2 P42684 1/20 0.69
BLK P51451 1/20 0.69
LIMK1 P53667 1/20 0.69

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
SCHEMBL12846529 0.96 AURKA (0.67) AURKAAURKBCHEK2CSF1RRET
SCHEMBL12846395 0.91 AURKA (0.72) AURKAAURKBCHEK2CSF1RRET
SCHEMBL3454241 0.89 AURKA (0.67) AURKAAURKBCHEK2CSF1RRET
SCHEMBL3454753 0.87 AURKA (0.69) AURKAAURKBCHEK2CSF1RRET
SCHEMBL3453965 0.86 AURKA (0.79) AURKAAURKBCHEK2CSF1RRET
SCHEMBL12846530 0.85 AURKA (0.63) AURKAAURKBCHEK2CSF1RRET
SCHEMBL3463216 0.84 AURKA (0.81) AURKAAURKBCHEK2CSF1RRET
SCHEMBL3455206 0.84 AURKA (0.62) AURKAAURKBCHEK2CSF1RRET
SCHEMBL14237127 0.83 AURKA (0.65) AURKAAURKBCHEK2CSF1RRET
SCHEMBL3454006 0.83 AURKA (0.63) AURKAAURKBCHEK2RETFLT4

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-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP claimed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US claimed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP claimed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO claimed
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
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
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 487/4885CHEK2 199/4885

“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.