SCHEMBL3476094

SCHEMBL3476094

[O-][n+]1ccc(OCc2ccc3nccn3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.51
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ DYRK1A Q13627 2/20 0.38
▸ NAMPT P43490 8/20 0.36
▸ MERTK Q12866 4/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ RET P07949 1/20 0.34
▸ AXL P30530 3/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34

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
SCHEMBL11433529 0.82 KEAP1 (0.57) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL13140971 0.74 KEAP1 (0.67) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL3476854 0.71 NSD2 (0.53) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL11534498 0.71 KEAP1 (0.49) KEAP1CYP1A2DYRK1ARET
SCHEMBL14638727 0.70 LTA4H (0.48) KEAP1CYP1A2CYP2C9
SCHEMBL24494597 0.69 KEAP1 (0.68) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL6092812 0.69 KEAP1 (1.00) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL74518 0.69 KEAP1 (0.68) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL2535366 0.69 KEAP1 (0.68) KEAP1MEN1CYP1A2KMT2ADAO
SCHEMBL14554770 0.69 KEAP1 (0.68) KEAP1MEN1CYP1A2KMT2ADAO

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-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
CN-101945872-A (1-azinone) -substituted pyridoindoles as mch antagonists ALBANY MOLECULAR RES INC 2011-01-12 — — CN 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 KEAP1 2361/4885MEN1 1734/4885CYP1A2 294/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KEAP1 2441/4885MEN1 1448/4885CYP1A2 290/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KEAP1 2361/4885MEN1 1734/4885CYP1A2 294/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KEAP1 2441/4885MEN1 1448/4885CYP1A2 290/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KEAP1 2441/4885MEN1 1448/4885CYP1A2 290/4885

“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.

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