SCHEMBL11423973

SCHEMBL11423973

Clc1ccc(-c2ccncc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
GCGR P47871 3/20 0.55
MAPK14 Q16539 2/20 0.55
MARS1 P56192 3/20 0.49
CDC7 O00311 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN11 Q06124 1/20 0.47
SRD5A2 P31213 1/20 0.47
HSD11B1 P28845 2/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7574880 0.83 RAB9A (0.60) GCGRMAPK14RAB9AMAPK1DUSP3
SCHEMBL2933108 0.81 AHR (0.67) AHRMARS1RAB9ASRD5A2HSD11B1
SCHEMBL16983101 0.79 ROCK1 (0.46) GCGRMAPK14RAB9AMAPK1DUSP3
SCHEMBL7001254 0.79 IMPDH2 (0.49) GCGRMAPK14RAB9AMAPK1CYP3A4
SCHEMBL3383277 0.79 MAPK14 (0.56) GCGRMAPK14CDC7DBF4
SCHEMBL24810017 0.79 GCGR (0.46) GCGRMAPK14RAB9AMAPK1DUSP3
SCHEMBL4882187 0.79 NPC1 (0.74) RAB9AMAPK1CYP2C9NPC1ALDH1A1
SCHEMBL510771 0.77 AHR (0.61) AHRMARS1RAB9ASRD5A2HSD11B1
SCHEMBL29788257 0.77 AHR (0.61) AHRMARS1RAB9ASRD5A2HSD11B1
SCHEMBL464507 0.75 AHR (0.64) AHRRAB9AMAPK1SRD5A2HSD11B1

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 8 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-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 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 (4 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 AHR 159/4885GCGR 243/4885MAPK14 3172/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 AHR 185/4885GCGR 261/4885MAPK14 3426/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 AHR 159/4885GCGR 243/4885MAPK14 3172/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 AHR 185/4885GCGR 261/4885MAPK14 3426/4885

“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.