SCHEMBL6533239

SCHEMBL6533239

NC(=O)c1ccccc1CNc1ccc2c(=O)[nH]c3ncccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.50
PARP1 P09874 1/20 0.50
CD38 P28907 5/20 0.42
RPS6KB1 P23443 9/20 0.39
AURKB Q96GD4 2/20 0.39
NUDT1 P36639 1/20 0.39
NAMPT P43490 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL6525348 0.84 AURKA (0.55) AURKAPARP1AURKBVCP
SCHEMBL3454715 0.82 AURKA (0.55) AURKAPARP1RPS6KB1AURKB
SCHEMBL6519121 0.82 AURKA (0.55) AURKAPARP1VCP
SCHEMBL6521905 0.82 AURKA (0.55) AURKAPARP1VCP
SCHEMBL3455169 0.82 AURKA (0.55) AURKAPARP1RPS6KB1AURKBVCP
SCHEMBL3453866 0.82 AURKA (0.55) AURKAPARP1AURKB
SCHEMBL12846643 0.81 AURKA (0.52) AURKAPARP1AURKBVCP
SCHEMBL6521606 0.80 RPS6KB1 (0.47) AURKAPARP1RPS6KB1AURKB
SCHEMBL6518864 0.80 AURKA (0.51) AURKAPARP1
SCHEMBL3453920 0.80 CDC7 (0.53) AURKAPARP1CD38RPS6KB1AURKB

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 8 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
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 538/4885PARP1 1693/4885CD38 3164/4885

“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.