SCHEMBL9101181

SCHEMBL9101181

Cc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C3=O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 15/20 0.74
IDO2 Q6ZQW0 13/20 0.74
IDO1 P14902 15/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
KMT2A Q03164 2/20 0.72
LMNA P02545 1/20 0.72
NTRK1 P04629 1/20 0.72
ALOX5 P09917 1/20 0.72
MAPT P10636 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
APAF1 O14727 2/20 0.55
MEN1 O00255 1/20 0.55
MITF O75030 1/20 0.55
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL9103139 0.86 TDO2 (0.74) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL30537967 0.86 TDO2 (0.74) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9115670 0.85 IDO1 (0.72) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9100993 0.85 TDO2 (1.00) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL30537978 0.85 TDO2 (0.72) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL25297374 0.85 TDO2 (0.72) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9104095 0.85 TDO2 (0.72) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL17830804 0.84 TDO2 (0.69) TDO2IDO2IDO1NPC1RAB9A
Tryptanthrin SCHEMBL29359262 0.84 TDO2 (1.00) TDO2IDO2IDO1NPC1RAB9A
Tryptanthrin SCHEMBL2426211 0.84 TDO2 (1.00) TDO2IDO2IDO1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070089-B1 AMINOMETHYL TRYPTANTHRIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF UNIV FUDAN (CN) 2019-10-16 EP disclosed
US-10059712-B2 N-benzyl tryptanthrin derivative, and preparation method and application thereof FUDAN UNIVERSITY (CN) 2018-08-28 US disclosed
US-20160297822-A1 N-benzyl tryptanthrin derivative, and preparation method and application thereof FUDAN UNIVERSITY (CN) 2016-10-13 US disclosed
US-20160297822-A1 N-benzyl tryptanthrin derivative, and preparation method and application thereof FUDAN UNIVERSITY (CN) 2016-10-13 US disclosed
US-20160297822-A1 N-benzyl tryptanthrin derivative, and preparation method and application thereof FUDAN UNIVERSITY (CN) 2016-10-13 US disclosed
EP-3070089-A1 N-BENZYL TRYPTANTHRIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF Fudan University (CN) 2016-09-21 EP 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
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-8012987-B2 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-09-06 US disclosed
US-8012987-B2 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-09-06 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 (3 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-10059712-B2 N-benzyl tryptanthrin derivative, and preparation method and application thereof IDO1, IDO2, TPH1 TDO2 4/4885IDO2 2/4885IDO1 1/4885
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION TPSG1, TPSB2, TPSAB1 TDO2 66/4885IDO2 19/4885IDO1 20/4885
US-20160297822-A1 N-benzyl tryptanthrin derivative, and preparation method and application thereof IDO1, IDO2, TPH1 TDO2 5/4885IDO2 2/4885IDO1 1/4885

“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.