SCHEMBL3477786

SCHEMBL3477786

CC(C)(C)OC(=O)N1CCc2c(c3ccc(Br)cc3n2COCC[Si](C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BAZ2B Q9UIF8 1/20 0.39
KLKB1 P03952 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ESR2 Q92731 1/20 0.37
MTOR P42345 2/20 0.36
NR1H2 P55055 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL3477166 0.84 KRAS (0.55) KRASHDAC1HDAC6BAZ2BDDB1
SCHEMBL18103923 0.80 HDAC1 (0.41) KRASHDAC1HDAC6KLKB1DDB1
SCHEMBL29983586 0.79 KRAS (0.51) KRASHDAC1HDAC6BAZ2BDDB1
SCHEMBL3476322 0.79 KRAS (0.51) KRASHDAC1HDAC6BAZ2BDDB1
SCHEMBL3476786 0.79 BAZ2B (0.53) KRASHDAC1HDAC6BAZ2BDDB1
SCHEMBL18103977 0.79 HDAC1 (0.40) KRASHDAC1HDAC6KLKB1DDB1
SCHEMBL12979788 0.76 KRAS (0.47) KRASHDAC1HDAC6BAZ2BDDB1
SCHEMBL31447996 0.76 CA1 (0.37) KRAS
SCHEMBL17785874 0.76 HDAC1 (0.37) KRASHDAC1HDAC6DDB1CRBN
SCHEMBL3477812 0.75 KRAS (0.57) KRASHDAC1HDAC6BAZ2BDDB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 EP disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 US disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 US disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 EP disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US 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 (5 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KRAS 1266/4885HDAC1 1578/4885HDAC6 2849/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KRAS 1105/4885HDAC1 1776/4885HDAC6 3011/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KRAS 1266/4885HDAC1 1578/4885HDAC6 2849/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KRAS 1105/4885HDAC1 1776/4885HDAC6 3011/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KRAS 1105/4885HDAC1 1776/4885HDAC6 3011/4885

“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.