SCHEMBL3454765

SCHEMBL3454765

CN1CCN(CCNC(=O)c2ccc3c(c2)c(=O)[nH]c2nccc(Nc4ccc(NC(=O)c5ccccc5)cc4)c23)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.61
AURKB Q96GD4 11/20 0.61
MAPK13 O15264 1/20 0.61
CHEK2 O96017 1/20 0.61
NTRK1 P04629 1/20 0.61
RET P07949 1/20 0.61
HCK P08631 1/20 0.61
FGFR1 P11362 1/20 0.61
FLT4 P35916 1/20 0.61
LIMK1 P53667 1/20 0.61
SIK1 P57059 1/20 0.61
TNK2 Q07912 1/20 0.61
WNK3 Q9BYP7 1/20 0.61
NAMPT P43490 2/20 0.49

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
SCHEMBL6521497 0.97 AURKA (0.61) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL14237142 0.89 AURKA (0.56) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3455170 0.86 AURKA (0.66) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL14237129 0.86 AURKA (0.56) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454464 0.85 AURKA (0.66) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454711 0.84 AURKA (0.67) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454463 0.83 AURKA (0.64) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6519031 0.83 AURKA (0.66) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL6525849 0.83 AURKA (0.70) AURKAAURKBMAPK13CHEK2NTRK1
SCHEMBL3454471 0.82 AURKA (0.69) AURKAAURKBMAPK13CHEK2NTRK1

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 13 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
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
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
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 487/4885MAPK13 56/4885

“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.