SCHEMBL1016235

SCHEMBL1016235

O=C(Oc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HGFAC Q04756 1/20 0.58
POLB P06746 1/20 0.54
LMNA P02545 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALOX12 P18054 2/20 0.54
ALOX5 P09917 2/20 0.51
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.47
GPR55 Q9Y2T6 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.46
HSP90AA1 P07900 2/20 0.46
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL4697147 0.85 HGFAC (0.67) HGFACLMNATDP1KDM4EL3MBTL1
SCHEMBL19360824 0.80 MAPT (0.59) HGFACPOLBTDP1KDM4EALOX5
SCHEMBL19360021 0.80 MAPT (0.59) HGFACPOLBTDP1KDM4EALOX5
SCHEMBL5064727 0.79 KMT2A (0.52) LMNAKDM4EMAPTNPSR1ALDH1A1
SCHEMBL4030285 0.76 MEN1 (0.61) LMNAKDM4EL3MBTL1MAPTNPSR1
SCHEMBL28193616 0.76 HSD17B10 (0.61) HGFACLMNAMAPTNPSR1ALDH1A1
SCHEMBL70054 0.76 ALOX5 (0.58) HGFACPOLBLMNATDP1KDM4E
SCHEMBL10712829 0.76 MAPT (0.48) HGFACPOLBLMNAMAPTNPSR1
SCHEMBL7186306 0.75 HSD17B10 (0.59) HGFACLMNAMAPTNPSR1ALDH1A1
SCHEMBL28193618 0.75 HSD17B10 (0.59) HGFACLMNAMAPTNPSR1ALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101448840-B Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER SCHERING PHARMA AG (DE) 2011-12-14 CN 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
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 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
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
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
EP-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-28 US disclosed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 EP disclosed
WO-2006055268-A2 PYRIMIDOTHIENOINDAZOLES CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-26 WO disclosed
EP-1651652-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-03 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
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 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 (4 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 HGFAC 4135/4885POLB 653/4885LMNA 4106/4885
US-20110053928-A1 PYRIMIDOTHIENOINDAZOLES CCNI, TPMT, TYMP HGFAC 2633/4885POLB 140/4885LMNA 2801/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 HGFAC 1442/4885POLB 277/4885LMNA 850/4885
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders MKI67, PCNA, MYC HGFAC 1809/4885POLB 170/4885LMNA 3440/4885

“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.