SCHEMBL9107582

SCHEMBL9107582

COP(=O)(OC)OCCN(C)c1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(Cl)ccc1-3

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.51
IDO1 P14902 14/20 0.48
TDO2 P48775 8/20 0.42
IDO2 Q6ZQW0 8/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
EGFR P00533 1/20 0.35
ABCC1 P33527 1/20 0.35
TP53 P04637 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
SCHEMBL9233005 0.84 APAF1 (0.58) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4585839 0.81 APAF1 (0.51) APAF1IDO1TDO2IDO2MEN1
SCHEMBL12541655 0.80 APAF1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4586346 0.79 APAF1 (0.60) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4587829 0.79 APAF1 (0.46) APAF1IDO1TDO2IDO2MEN1
SCHEMBL12290137 0.77 APAF1 (0.44) APAF1IDO1TDO2IDO2MEN1
SCHEMBL9235681 0.77 APAF1 (0.56) APAF1IDO1TDO2IDO2MEN1
SCHEMBL11904697 0.76 APAF1 (0.60) APAF1IDO1TDO2IDO2MEN1
SCHEMBL9105478 0.75 APAF1 (0.57) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4586352 0.75 APAF1 (0.57) 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 7 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

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.