SCHEMBL9103300

SCHEMBL9103300

COc1cc2nc3n(c(=O)c2cc1OC)-c1ccccc1C3=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.63
TDO2 P48775 10/20 0.63
IDO2 Q6ZQW0 10/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 1/20 0.63
NTRK1 P04629 1/20 0.63
ALOX5 P09917 1/20 0.63
MAPT P10636 1/20 0.63
PTGS2 P35354 1/20 0.63
HTT P42858 1/20 0.63
MAPK8 P45983 1/20 0.63
NTRK2 Q16620 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MEN1 O00255 3/20 0.56
APAF1 O14727 2/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL17830804 0.84 TDO2 (0.69) IDO1TDO2IDO2KMT2ANPC1
Benzo[K]Tryptanthrin SCHEMBL30537985 0.82 IDO1 (0.71) IDO1TDO2IDO2KMT2ANPC1
Benzo[K]Tryptanthrin SCHEMBL9885118 0.82 IDO1 (0.71) IDO1TDO2IDO2KMT2ANPC1
SCHEMBL18773427 0.80 IDO1 (0.68) IDO1TDO2IDO2KMT2ANPC1
SCHEMBL9101181 0.80 TDO2 (0.74) IDO1TDO2IDO2KMT2ANPC1
SCHEMBL9106875 0.80 IDO1 (0.59) IDO1TDO2IDO2KMT2ANPC1
Tryptanthrin SCHEMBL29359262 0.78 TDO2 (1.00) IDO1TDO2IDO2KMT2ANPC1
Tryptanthrin SCHEMBL2426211 0.78 TDO2 (1.00) IDO1TDO2IDO2KMT2ANPC1
SCHEMBL30537967 0.77 TDO2 (0.74) IDO1TDO2IDO2KMT2ANPC1
SCHEMBL9103139 0.77 TDO2 (0.74) IDO1TDO2IDO2KMT2ANPC1

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
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-5441955-A Tuberculosis PATHOGENESIS CORPORATION (US) 1995-08-15 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 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.