SCHEMBL9104400

SCHEMBL9104400

O=C1c2cc(I)ccc2-n2c1nc1c(Cl)ccc(Cl)c1c2=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.43
IDO1 P14902 12/20 0.42
TDO2 P48775 8/20 0.42
IDO2 Q6ZQW0 7/20 0.42
PIK3R2 O00459 1/20 0.40
CASP3 P42574 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.38
PIM1 P11309 1/20 0.38
LIMK1 P53667 1/20 0.38
TYRO3 Q06418 1/20 0.38
MAPK14 Q16539 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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 0.81 APAF1 (0.43) APAF1IDO1TDO2IDO2CASP3
SCHEMBL4586099 0.80 APAF1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4585178 0.78 IDO1 (0.44) APAF1IDO1TDO2IDO2CASP3
SCHEMBL4586529 0.75 IDO1 (0.46) APAF1IDO1TDO2IDO2MEN1
SCHEMBL12289912 0.73 IDO1 (0.41) APAF1IDO1TDO2IDO2CASP3
SCHEMBL4587410 0.73 TDO2 (0.49) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4593874 0.73 TDO2 (0.67) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4586543 0.72 IDO1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL9099548 0.71 TDO2 (0.74) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4587567 0.71 APAF1 (0.71) APAF1IDO1TDO2IDO2MEN1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 APAF1 928/4885IDO1 20/4885TDO2 66/4885

“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.