SCHEMBL397320

SCHEMBL397320

O=[N+]([O-])c1ccc2c(c1)C(=NO)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HSP90AA1 P07900 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
HPGD P15428 1/20 0.46
CTSL P07711 3/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
PTPRC P08575 1/20 0.41

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
SCHEMBL397319 1.00 MAPT (0.48) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL5486633 0.82 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL5486629 0.82 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL6773082 0.81 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL12609501 0.80 MAPT (0.46) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL18019504 0.78 HTT (0.54) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL398342 0.78 PTPRC (0.50) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL14129177 0.77 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL14138184 0.77 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL5210156 0.76 PTPRC (0.44) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 US disclosed
CN-107652303-B Novel thienopyrimidine derivatives, preparation method and therapeutic use thereof 赛诺菲 2020-08-04 CN disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-20200078370-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-03-12 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2019-05-23 US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed
EP-0866700-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed
EP-0866700-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017958-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 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 (8 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-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MAPT 4269/4885SMN1; SMN2 4837/4885L3MBTL1 3552/4885
US-20200078370-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR MAPT 4293/4885SMN1; SMN2 2135/4885L3MBTL1 4615/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR MAPT 4314/4885SMN1; SMN2 1970/4885L3MBTL1 4539/4885
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR MAPT 4293/4885SMN1; SMN2 2135/4885L3MBTL1 4615/4885
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR MAPT 4120/4885SMN1; SMN2 2461/4885L3MBTL1 4523/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 MAPT 4775/4885SMN1; SMN2 4860/4885L3MBTL1 3929/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR MAPT 4153/4885SMN1; SMN2 2323/4885L3MBTL1 4432/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MAPT 4847/4885SMN1; SMN2 4740/4885L3MBTL1 3693/4885

“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.