SCHEMBL9103006

SCHEMBL9103006

Cc1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 10/20 1.00
IDO2 Q6ZQW0 10/20 1.00
IDO1 P14902 14/20 0.74
APAF1 O14727 2/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
MITF O75030 1/20 0.74
HSP90AA1 P07900 1/20 0.74
MAPT P10636 3/20 0.72
LMNA P02545 2/20 0.72
NTRK1 P04629 1/20 0.72
ALOX5 P09917 1/20 0.72
PTGS2 P35354 1/20 0.72
HTT P42858 1/20 0.72
MAPK8 P45983 1/20 0.72
NTRK2 Q16620 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
ALDH1A1 P00352 2/20 0.61

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
SCHEMBL9100596 0.85 APAF1 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL31680506 0.85 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9099548 0.85 TDO2 (0.74) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9115231 0.85 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9222306 0.85 IDO1 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9103687 0.84 IDO1 (0.73) TDO2IDO2IDO1APAF1NPC1
Tryptanthrin SCHEMBL29359262 0.84 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1
Tryptanthrin SCHEMBL2426211 0.84 TDO2 (1.00) TDO2IDO2IDO1APAF1NPC1
SCHEMBL9101181 0.83 TDO2 (0.74) TDO2IDO2IDO1APAF1NPC1
SCHEMBL14492731 0.83 IDO1 (0.76) TDO2IDO2IDO1APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017173973-A1 NITROGEN HETEROCYCLIC TRYPTAMINE KETONE DERIVATIVE AND APPLICATION AS IDO1 AND/OR TDO INHIBITOR 北京大学 2017-10-12 WO 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
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-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 TDO2 66/4885IDO2 19/4885IDO1 20/4885

“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.