SCHEMBL6525348

SCHEMBL6525348

Nc1ccccc1CNc1ccc2c(=O)[nH]c3ncccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.55
PARP1 P09874 3/20 0.55
VCP P55072 1/20 0.42
AURKB Q96GD4 2/20 0.41
SYK P43405 1/20 0.39
AR P10275 1/20 0.39
IP6K1 Q92551 1/20 0.38
EGFR P00533 1/20 0.37
MAPK14 Q16539 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3454715 0.86 AURKA (0.55) AURKAPARP1AURKBCDC7DBF4
SCHEMBL6519121 0.86 AURKA (0.55) AURKAPARP1VCPMAPT
SCHEMBL3453866 0.86 AURKA (0.55) AURKAPARP1AURKBGAAMAPT
SCHEMBL6521905 0.86 AURKA (0.55) AURKAPARP1VCPARCDC7
SCHEMBL3455169 0.86 AURKA (0.55) AURKAPARP1VCPAURKBIP6K1
SCHEMBL6533239 0.84 AURKA (0.50) AURKAPARP1VCPAURKB
SCHEMBL12846643 0.84 AURKA (0.52) AURKAPARP1VCPAURKBIP6K1
SCHEMBL6518864 0.83 AURKA (0.51) AURKAPARP1EGFRGAA
SCHEMBL3453920 0.83 CDC7 (0.53) AURKAPARP1AURKBAREGFR
SCHEMBL6518393 0.83 AURKA (0.51) AURKAPARP1

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 538/4885PARP1 1693/4885VCP 1628/4885

“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.