SCHEMBL4586543

SCHEMBL4586543

O=C1c2cc(I)ccc2-n2c1nc1c(Br)cc(Br)cc1c2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.50
TDO2 P48775 9/20 0.50
IDO2 Q6ZQW0 7/20 0.50
APAF1 O14727 2/20 0.44
EGFR P00533 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
LIMK1 P53667 1/20 0.39
TYRO3 Q06418 1/20 0.39
MAPK14 Q16539 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 1/20 0.39
NTRK1 P04629 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL4586529 0.81 IDO1 (0.46) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4585178 0.79 IDO1 (0.44) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4585818 0.79 APAF1 (0.43) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4586099 0.78 APAF1 (0.50) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4593874 0.77 TDO2 (0.67) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4587410 0.77 TDO2 (0.49) IDO1TDO2IDO2APAF1NPC1
SCHEMBL9099548 0.74 TDO2 (0.74) IDO1TDO2IDO2APAF1NPC1
SCHEMBL12289912 0.74 IDO1 (0.41) IDO1TDO2IDO2APAF1NPC1
SCHEMBL26614227 0.73 IDO1 (0.66) IDO1TDO2IDO2APAF1NPC1
SCHEMBL5619364 0.73 IDO1 (0.51) IDO1TDO2IDO2APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1594524-A4 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-09-03 EP claimed
EP-1594524-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2005-11-16 EP claimed
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 US claimed
WO-2004064759-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2004-08-05 WO claimed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP disclosed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP 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-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-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-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

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-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

“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.