SCHEMBL11433529

SCHEMBL11433529

c1cc(OCc2ccc3nccn3c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.57
▸ DYRK1A Q13627 2/20 0.53
▸ CPB2 Q96IY4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DAO P14920 1/20 0.39
▸ F2 P00734 2/20 0.38
▸ MERTK Q12866 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RET P07949 1/20 0.37
▸ AXL P30530 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ HMOX1 P09601 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ NAMPT P43490 2/20 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
SCHEMBL3476094 0.82 KEAP1 (0.51) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL13140971 0.79 KEAP1 (0.67) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL18297160 0.79 KEAP1 (0.62) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL3476854 0.76 NSD2 (0.53) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL11534498 0.75 KEAP1 (0.49) KEAP1DYRK1ACYP1A2F2SMN1; SMN2
SCHEMBL14638727 0.75 LTA4H (0.48) KEAP1CYP1A2
SCHEMBL24494597 0.73 KEAP1 (0.68) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL2535366 0.73 KEAP1 (0.68) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL74518 0.73 KEAP1 (0.68) KEAP1DYRK1ACPB2MEN1CYP1A2
SCHEMBL14638413 0.73 KEAP1 (0.68) KEAP1DYRK1ACPB2MEN1CYP1A2

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-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-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-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 KEAP1 2361/4885DYRK1A 2601/4885CPB2 4129/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KEAP1 2441/4885DYRK1A 2875/4885CPB2 3980/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 KEAP1 2361/4885DYRK1A 2601/4885CPB2 4129/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KEAP1 2441/4885DYRK1A 2875/4885CPB2 3980/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 KEAP1 2441/4885DYRK1A 2875/4885CPB2 3980/4885

“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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