SCHEMBL4585178

SCHEMBL4585178

O=C1c2cc(I)ccc2-n2c1nc1c(Br)cc(Br)c(F)c1c2=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.44
TDO2 P48775 11/20 0.44
IDO2 Q6ZQW0 8/20 0.44
CHEK1 O14757 1/20 0.42
PIM1 P11309 1/20 0.42
LIMK1 P53667 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAPK14 Q16539 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
APAF1 O14727 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.35

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
SCHEMBL4585818 0.88 APAF1 (0.43) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL4585259 0.84 TDO2 (0.54) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL4586543 0.79 IDO1 (0.50) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL9104400 0.78 APAF1 (0.43) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL9100630 0.72 TDO2 (0.48) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL4586529 0.72 IDO1 (0.46) IDO1TDO2IDO2APAF1MEN1
SCHEMBL4586099 0.71 APAF1 (0.50) IDO1TDO2IDO2APAF1MEN1
SCHEMBL4587410 0.70 TDO2 (0.49) IDO1TDO2IDO2APAF1MEN1
SCHEMBL12289912 0.70 IDO1 (0.41) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26856386 0.70 IDO1 (0.42) IDO1TDO2IDO2CHEK1PIM1

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 22 patents — showing the first 20. 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
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 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
EP-1594524-A4 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-09-03 EP disclosed
EP-1469813-A4 ADDITIVES AND PRODUCTS INCLUDING OLIGOESTERS CRODA INC (US) 2008-08-27 EP disclosed
EP-1594524-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2005-11-16 EP disclosed
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 US disclosed
EP-1469813-A2 ADDITIVES AND PRODUCTS INCLUDING OLIGOESTERS Croda, Inc. (US) 2004-10-27 EP disclosed
WO-2004064759-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2004-08-05 WO disclosed
WO-2003063790-A2 ADDITIVES AND PRODUCTS INCLUDING OLIGOESTERS CRODA, INC. (US) 2003-08-07 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-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.