SCHEMBL1668405

SCHEMBL1668405

CNC(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
KCNMA1 Q12791 1/20 0.50
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
GAA P10253 1/20 0.42
CTSD P07339 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
SCHEMBL691635 0.87 TDP1 (0.51) L3MBTL1KCNMA1SLC6A2SLC6A4SLC6A3
SCHEMBL8545785 0.84 KCNMA1 (0.48) L3MBTL1KCNMA1TDP1ATMMEN1
SCHEMBL6971828 0.82 FLT1 (0.57) SLC6A2SLC6A4SLC6A3TDP1MEN1
SCHEMBL621197 0.81 TDP1 (0.52) L3MBTL1KCNMA1TDP1ATMMEN1
SCHEMBL28011853 0.81 KCNMA1 (0.48) L3MBTL1KCNMA1TDP1ATMMEN1
SCHEMBL539834 0.81 TDP1 (0.47) L3MBTL1KCNMA1SLC6A4SLC6A3TDP1
SCHEMBL28536991 0.80 FLT1 (0.60) KCNMA1SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL1231709 0.80 SLC6A2 (0.47) L3MBTL1SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL404750 0.80 TDP1 (0.53) KCNMA1TDP1ATMLMNACYP3A4
SCHEMBL11010758 0.79 NPC1 (0.50) L3MBTL1KCNMA1TDP1ATMMEN1

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
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
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
CN-102666540-A Fused azine derivatives for the treatment of acetylcholine receptor related diseases MSD OSS BV 2012-09-12 CN disclosed
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 EP disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
CN-102448955-A Aminopyrimidine Anticancer Compounds OSI PHARM INC 2012-05-09 CN disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS L3MBTL1 2264/4885KCNMA1 2981/4885SLC6A2 3618/4885
US-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 L3MBTL1 4613/4885KCNMA1 1031/4885SLC6A2 95/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS L3MBTL1 2264/4885KCNMA1 2981/4885SLC6A2 3618/4885

“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.