SCHEMBL691635

SCHEMBL691635

CNC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.42
TTR P02766 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CTSD P07339 1/20 0.41
DTYMK P23919 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1668405 0.87 L3MBTL1 (0.54) TDP1ATML3MBTL1SLC6A2SLC6A4
SCHEMBL1668445 0.83 ALDH1A1 (0.51) TDP1ATML3MBTL1MEN1LMNA
SCHEMBL6888042 0.83 ALDH1A1 (0.48) TDP1ATML3MBTL1MEN1LMNA
SCHEMBL11272971 0.82 ATM (0.46) TDP1ATML3MBTL1MEN1LMNA
SCHEMBL4647431 0.81 TDP1 (0.56) TDP1ATML3MBTL1MEN1LMNA
SCHEMBL1668369 0.81 ALDH1A1 (0.46) TDP1ATML3MBTL1MEN1LMNA
SCHEMBL31548078 0.81 SIRT6 (0.56) TDP1ATML3MBTL1SLC6A4SLC6A3
SCHEMBL25635053 0.81 TSHR (0.51) TDP1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL7447850 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL137523 0.81 SIRT6 (0.56) TDP1ATML3MBTL1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
CN-103588704-B INHIBITORS OF FOCAL ADHESION KINASE 斯克里普斯研究学院 2016-09-14 CN disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
CN-101679264-A inhibitors of focal adhesion kinase SCRIPPS RESEARCH INST 2010-03-24 CN disclosed
EP-2134689-A2 INHIBITORS OF FOCAL ADHESION KINASE The Scripps Research Institute (US) 2009-12-23 EP disclosed
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 CN disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
CN-101048386-A Pyrimidine derivatives NOVARTIS AG (CH) 2007-10-03 CN disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET TDP1 1885/4885ATM 1102/4885L3MBTL1 712/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN TDP1 1801/4885ATM 586/4885L3MBTL1 2957/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN TDP1 1801/4885ATM 586/4885L3MBTL1 2957/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS TDP1 269/4885ATM 1136/4885L3MBTL1 4365/4885

“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.