SCHEMBL6520671

SCHEMBL6520671

COc1ccccc1CCc1ccnc2[nH]c(=O)c3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.53
AURKB Q96GD4 4/20 0.53
HCAR2 Q8TDS4 1/20 0.49
AR P10275 1/20 0.46
ADRB2 P07550 1/20 0.45
PARP1 P09874 1/20 0.43
NR3C2 P08235 1/20 0.43
DAO P14920 1/20 0.43
PDE10A Q9Y233 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
PTK6 Q13882 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6525374 0.83 AURKA (0.56) AURKAAURKBUTS2RPTK6
SCHEMBL6522872 0.83 PTK6 (0.50) AURKAAURKBHCAR2PARP1PTK6
SCHEMBL6522914 0.81 AURKA (0.57) AURKAAURKBHCAR2PARP1UTS2R
SCHEMBL6517454 0.81 HCAR2 (0.48) AURKAAURKBHCAR2NR3C2DAO
SCHEMBL12846686 0.79 AURKA (0.55) AURKAAURKBPARP1PTK6
SCHEMBL6519693 0.78 AURKA (0.66) AURKAAURKBPTK6
SCHEMBL6525391 0.76 AURKA (0.55) AURKAAURKBPARP1UTS2RPTK6
SCHEMBL6523257 0.74 AURKA (0.51) AURKAAURKBHCAR2PARP1NR3C2
SCHEMBL6519567 0.72 PTK6 (0.54) AURKAAURKBPARP1PTK6
SCHEMBL6525271 0.71 EGFR (0.59) AURKAAURKBUTS2RPTK6

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
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 487/4885HCAR2 4241/4885

“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.