SCHEMBL1014119

SCHEMBL1014119

O=[N+]([O-])c1ccc2nn(Cc3cccc(F)c3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
IDO1 P14902 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC29A1 Q99808 1/20 0.42
MAPT P10636 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1730308 0.86 DHFR (0.48) KMT2AMEN1MAPT
SCHEMBL31661733 0.81 RAB9A (0.45) KMT2AMEN1MAPT
SCHEMBL31661574 0.80 POLB (0.47) KMT2AMEN1POLBMAPT
SCHEMBL1017997 0.79 L3MBTL1 (0.58) KMT2AMEN1L3MBTL1MAPTADORA3
SCHEMBL20364205 0.77 MAPT (0.43) KMT2AMEN1POLBCYP1A2CYP2C19
SCHEMBL31632979 0.77 KDM4C (0.50) L3MBTL1POLBADORA3ADORA2AADORA2B
SCHEMBL8556009 0.77 PKM (0.53) KMT2AMEN1L3MBTL1HPGDMAPT
SCHEMBL31661660 0.76 MAPT (0.41) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL21523794 0.76 KMT2A (0.58) KMT2AMEN1IDO1POLBMAPT
SCHEMBL8626103 0.76 MAPT (0.58) HPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744446-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-06-25 CN disclosed
CN-104744446-A Hetero-aromatic compound and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-07-01 CN disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
EP-1802633-B1 BENZOTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER SCHERING PHARMA AG (DE) 2011-08-03 EP disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-7750017-B2 Heterocycles BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-06 US disclosed
US-20080132497-A1 Novel Heterocycles BAYER PHARMACEUTICALS CORPORATION (US) 2008-06-05 US disclosed
EP-1802633-A1 BENZOTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES Bayer Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
EP-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
WO-2006044524-A1 BENZOTHIENO’2,3-D! PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
WO-2006023843-A2 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 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 (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-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT KMT2A 1930/4885MEN1 1382/4885IDO1 1423/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 KMT2A 3391/4885MEN1 190/4885IDO1 2704/4885
US-20080132497-A1 Novel Heterocycles HRAS, CCNC, PCNA KMT2A 2871/4885MEN1 246/4885IDO1 3128/4885

“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.