SCHEMBL5618397

SCHEMBL5618397

CN1CCN(c2ccc3c(=O)n4c(nc3c2)C(=O)c2cc(Cl)ccc2-4)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.66
TDO2 P48775 12/20 0.66
IDO2 Q6ZQW0 12/20 0.66
APAF1 O14727 2/20 0.60
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
KDM1A O60341 1/20 0.43
MAT2A P31153 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5620807 0.89 IDO1 (0.64) IDO1TDO2IDO2APAF1MEN1
SCHEMBL4593804 0.88 TDO2 (0.62) IDO1TDO2IDO2APAF1MEN1
SCHEMBL9104036 0.88 IDO1 (0.85) IDO1TDO2IDO2APAF1MEN1
SCHEMBL9103498 0.81 TDO2 (0.58) IDO1TDO2IDO2APAF1MEN1
SCHEMBL17830806 0.81 TDO2 (0.81) IDO1TDO2IDO2APAF1MEN1
SCHEMBL17830812 0.79 TDO2 (1.00) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26858212 0.79 TDO2 (0.70) IDO1TDO2IDO2APAF1MEN1
SCHEMBL4586093 0.78 APAF1 (0.71) IDO1TDO2IDO2APAF1MEN1
SCHEMBL17830817 0.78 TDO2 (1.00) IDO1TDO2IDO2APAF1MEN1
SCHEMBL9103128 0.78 TDO2 (0.77) IDO1TDO2IDO2APAF1MEN1

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 24 patents — showing the first 20. 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
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-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 US disclosed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 US disclosed
US-6750241-B2 Protein kinase inhibitors THERAVANCE, INC. 2004-06-15 US disclosed
US-20040033934-A1 Antimalarial and antiproliferative pharmacophore models, novel tryptanthrin compounds having increased solubility, and methods of making and using thereof ARMY, UNITED STATES 2004-02-19 US disclosed
WO-2003069303-A2 ANTIMALARIAL AND ANTIPROLIFERATIVE PHARMACOPHORE MODELS, NOVEL TRYPTANTHRIN COMPOUNDS HAVING INCREASED SOLUBILITY, AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 WO disclosed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 US disclosed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 US disclosed
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO 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 (6 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-20020177600-A1 Protein kinase inhibitors MAP3K20, MAP3K9, MAP3K6 IDO1 3077/4885TDO2 4370/4885IDO2 3257/4885
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION TPSG1, TPSB2, TPSAB1 IDO1 20/4885TDO2 66/4885IDO2 19/4885
US-20020002169-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 IDO1 4348/4885TDO2 4283/4885IDO2 4267/4885
US-20040033934-A1 Antimalarial and antiproliferative pharmacophore models, novel tryptanthrin compounds having increased solubility, and methods of making and using thereof TYR, MTTP, TPH2 IDO1 42/4885TDO2 40/4885IDO2 35/4885
US-20050261318-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 IDO1 4348/4885TDO2 4283/4885IDO2 4267/4885
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease UACA, PRKDC, CDK2 IDO1 661/4885TDO2 2975/4885IDO2 602/4885

“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.