SCHEMBL9107620

SCHEMBL9107620

CC1CN(c2cc3nc4n(c(=O)c3cc2F)-c2ccc(I)cc2C4=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.48
TDO2 P48775 13/20 0.48
IDO2 Q6ZQW0 6/20 0.48
MAPT P10636 3/20 0.41
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.37
GPR119 Q8TDV5 2/20 0.36

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
SCHEMBL6807692 0.88 IDO1 (0.60) IDO1TDO2IDO2GPR119
SCHEMBL9223866 0.84 TDO2 (0.46) IDO1TDO2IDO2MAPTMAP4K4
SCHEMBL12289910 0.81 IDO1 (0.49) IDO1TDO2IDO2
SCHEMBL9102861 0.79 TDO2 (0.49) IDO1TDO2IDO2
SCHEMBL4585590 0.78 IDO1 (0.48) IDO1TDO2IDO2MAPTALDH1A1
SCHEMBL9105433 0.77 TDO2 (0.61) IDO1TDO2IDO2
SCHEMBL9104271 0.70 TDO2 (0.49) IDO1TDO2IDO2
SCHEMBL16824991 0.70 MAPT (0.55) MAPTMAP4K4ALDH1A1LMNAHDAC1
SCHEMBL21261237 0.70 MAPT (0.55) MAPTMAP4K4ALDH1A1LMNAHDAC1
SCHEMBL13419734 0.70 MAPT (0.55) MAPTMAP4K4ALDH1A1LMNAHDAC1

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 9 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-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

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.