SCHEMBL16486018

SCHEMBL16486018

CC(C)(C)OC(=O)Nc1ccc(N)c(NCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HDAC1 Q13547 7/20 0.44
ATM Q13315 1/20 0.43
HDAC2 Q92769 4/20 0.42
HDAC3 O15379 3/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NAMPT P43490 1/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ACSS2 Q9NR19 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
SCHEMBL17487966 0.84 GAA (0.43) AURKARPS6KB1HDAC1MEN1KMT2A
SCHEMBL16489543 0.82 HTR6 (0.57) MEN1KMT2A
SCHEMBL1963813 0.81 AURKA (0.52) AURKARPS6KB1CA1CA12CA7
SCHEMBL30896828 0.81 CA12 (0.41) CA1CA12HDAC1HDAC2HDAC3
SCHEMBL7071047 0.81 AAK1 (0.48) CA1CA12HDAC1HDAC2HDAC3
SCHEMBL16489559 0.81 HDAC1 (0.48) AURKARPS6KB1CA1CA12CA7
SCHEMBL22669877 0.79 CA1 (0.55) AURKARPS6KB1CA1CA12CA7
SCHEMBL30270551 0.79 AURKA (0.57) AURKARPS6KB1CA1CA12CA7
SCHEMBL24124697 0.78 HIF1A (0.59) AURKARPS6KB1CA1CA12CA7
SCHEMBL1854209 0.77 ATM (0.56) AURKARPS6KB1CA1CA12CA7

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
EP-3033335-A1 PYRIDINONES Boehringer Ingelheim International GmbH (DE) 2016-06-22 EP disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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 (2 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 AURKA 1593/4885RPS6KB1 528/4885CA1 4573/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 AURKA 1593/4885RPS6KB1 528/4885CA1 4573/4885

“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.