SCHEMBL9115231

SCHEMBL9115231

O=C1c2cc(F)ccc2-n2c1nc1ccccc1c2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 16/20 1.00
IDO1 P14902 16/20 1.00
IDO2 Q6ZQW0 13/20 1.00
APAF1 O14727 2/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
MITF O75030 1/20 1.00
HSP90AA1 P07900 1/20 1.00
LMNA P02545 1/20 0.70
NTRK1 P04629 1/20 0.70
ALOX5 P09917 1/20 0.70
MAPT P10636 1/20 0.70
PTGS2 P35354 1/20 0.70
HTT P42858 1/20 0.70
MAPK8 P45983 1/20 0.70
NTRK2 Q16620 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
GLA P06280 1/20 0.61

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
SCHEMBL31680506 1.00 TDO2 (1.00) TDO2IDO1IDO2APAF1NPC1
SCHEMBL4585634 0.89 IDO1 (0.80) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9105370 0.89 IDO1 (1.00) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9100964 0.87 IDO1 (0.77) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9103006 0.85 TDO2 (1.00) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9103165 0.85 IDO1 (0.74) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9103054 0.84 TDO2 (0.85) TDO2IDO1IDO2APAF1NPC1
SCHEMBL26614214 0.84 IDO1 (0.73) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9099548 0.84 TDO2 (0.74) TDO2IDO1IDO2APAF1NPC1
SCHEMBL9103254 0.84 IDO1 (0.80) TDO2IDO1IDO2APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421472-B1 AZA-TRYPTANTHRIN DERIVATIVES AS IDO1 AND/OR TDO INHIBITORS UNIV BEIJING (CN) 2022-12-07 EP disclosed
US-10669273-B2 Use of aza-tryptanthrin derivatives as inhibitors of IDO1 and/or TDO PEKING UNIVERSITY (CN) 2020-06-02 US disclosed
US-20190112308-A1 Use of Aza-Tryptanthrin Derivatives as Inhibitors of IDO1 and/or TDO PEKING UNIVERSITY (CN) 2019-04-18 US disclosed
EP-3421472-A1 NITROGEN HETEROCYCLIC TRYPTAMINE KETONE DERIVATIVE AND APPLICATION AS IDO1 AND/OR TDO INHIBITOR Peking University (CN) 2019-01-02 EP disclosed
WO-2017173973-A1 NITROGEN HETEROCYCLIC TRYPTAMINE KETONE DERIVATIVE AND APPLICATION AS IDO1 AND/OR TDO INHIBITOR 北京大学 2017-10-12 WO disclosed
US-8012987-B2 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-09-06 US disclosed
US-8012987-B2 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-09-06 US disclosed
US-7259167-B2 Antimalarial and antiproliferative pharmacophore models, novel tryptanthrin compounds having increased solubility, and methods of making and using thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-08-21 US disclosed
US-7259167-B2 Antimalarial and antiproliferative pharmacophore models, novel tryptanthrin compounds having increased solubility, and methods of making and using thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-08-21 US disclosed
EP-1032574-B1 INDOLO 2,1-b|QUINAZOLE-6,12-DIONE ANTIMALARIAL COMPOUNDS AND METHODS OF TREATING MALARIA THEREWITH US ARMY (US) 2007-06-13 EP disclosed
US-5441955-A Tuberculosis PATHOGENESIS CORPORATION (US) 1995-08-15 US disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 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-10669273-B2 Use of aza-tryptanthrin derivatives as inhibitors of IDO1 and/or TDO IDO1, TDO2, IDO2 TDO2 2/4885IDO1 1/4885IDO2 3/4885
US-20190112308-A1 Use of Aza-Tryptanthrin Derivatives as Inhibitors of IDO1 and/or TDO IDO1, TDO2, IDO2 TDO2 2/4885IDO1 1/4885IDO2 3/4885

“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.