SCHEMBL5620064

SCHEMBL5620064

O=C1c2ccccc2-n2c1nc1ncccc1c2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 1.00
TDO2 P48775 8/20 0.67
IDO2 Q6ZQW0 8/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
NTRK1 P04629 1/20 0.67
ALOX5 P09917 1/20 0.67
MAPT P10636 1/20 0.67
PTGS2 P35354 1/20 0.67
HTT P42858 1/20 0.67
MAPK8 P45983 1/20 0.67
NTRK2 Q16620 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
APAF1 O14727 2/20 0.48
MEN1 O00255 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL19456513 0.86 IDO1 (0.75) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL19456508 0.85 IDO1 (1.00) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL14442332 0.83 IDO1 (1.00) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL4593677 0.82 IDO1 (1.00) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL20597652 0.82 IDO1 (0.70) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL4593735 0.82 IDO1 (0.75) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL19456511 0.82 IDO1 (0.70) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL9885127 0.82 IDO1 (0.81) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL19456514 0.82 IDO1 (0.70) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL4587505 0.82 IDO1 (1.00) IDO1TDO2IDO2NPC1RAB9A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190112308-A1 Use of Aza-Tryptanthrin Derivatives as Inhibitors of IDO1 and/or TDO PEKING UNIVERSITY (CN) 2019-04-18 US claimed
EP-3421472-A1 NITROGEN HETEROCYCLIC TRYPTAMINE KETONE DERIVATIVE AND APPLICATION AS IDO1 AND/OR TDO INHIBITOR Peking University (CN) 2019-01-02 EP claimed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US claimed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP claimed
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 US claimed
US-20240131356-A1 COMBINATION OF INTRACELLULAR AND EXTRACELLULAR PHOTOSENSITIZERS FOR TREATMENT OF BACTERIAL INFECTION VANDERBILT UNIVERSITY 2024-04-25 US disclosed
EP-4284912-A1 COMBINATION OF INTRACELLULAR AND EXTRACELLULAR PHOTOSENSITIZERS FOR TREATMENT OF BACTERIAL INFECTION Vanderbilt University (US) 2023-12-06 EP disclosed
EP-3421472-B1 AZA-TRYPTANTHRIN DERIVATIVES AS IDO1 AND/OR TDO INHIBITORS UNIV BEIJING (CN) 2022-12-07 EP disclosed
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-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
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 US disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 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
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 US disclosed
US-20040033934-A1 Antimalarial and antiproliferative pharmacophore models, novel tryptanthrin compounds having increased solubility, and methods of making and using thereof ARMY, UNITED STATES 2004-02-19 US disclosed
WO-2003069303-A2 ANTIMALARIAL AND ANTIPROLIFERATIVE PHARMACOPHORE MODELS, NOVEL TRYPTANTHRIN COMPOUNDS HAVING INCREASED SOLUBILITY, AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 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 (6 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 IDO1 1/4885TDO2 2/4885IDO2 3/4885
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION TPSG1, TPSB2, TPSAB1 IDO1 20/4885TDO2 66/4885IDO2 19/4885
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation TPSG1, TPSB2, TPSAB1 IDO1 20/4885TDO2 66/4885IDO2 19/4885
US-20190112308-A1 Use of Aza-Tryptanthrin Derivatives as Inhibitors of IDO1 and/or TDO IDO1, TDO2, IDO2 IDO1 1/4885TDO2 2/4885IDO2 3/4885
US-20040033934-A1 Antimalarial and antiproliferative pharmacophore models, novel tryptanthrin compounds having increased solubility, and methods of making and using thereof TYR, MTTP, TPH2 IDO1 42/4885TDO2 40/4885IDO2 35/4885
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection ICOS, CD14, MAVS IDO1 62/4885TDO2 4199/4885IDO2 52/4885

“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.