SCHEMBL705758

SCHEMBL705758

O=c1ccc2c(F)cc(F)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.45
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
FEN1 P39748 1/20 0.42
DAO P14920 1/20 0.41
TNKS O95271 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP1 P09874 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 1/20 0.38
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36

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
SCHEMBL30810554 1.00 TNKS2 (0.45) TNKS2PDE3BPDE3AFEN1DAO
SCHEMBL30908532 0.81 TNKS2 (0.46) TNKS2PDE3BPDE3ATNKSHPGD
SCHEMBL706591 0.81 PDE3B (0.43) TNKS2PDE3BPDE3ATNKSHPGD
SCHEMBL1261516 0.81 TNKS2 (0.42) TNKS2PDE3BPDE3AFEN1DAO
SCHEMBL706680 0.81 PDE3B (0.43) TNKS2PDE3BPDE3AFEN1DAO
SCHEMBL8873411 0.81 KDM4E (0.46) FEN1DAOHPGDLMNAKDM4E
Ammonia Solution, Strong SCHEMBL19953469 0.79 TNKS2 (0.41) TNKS2PDE3BPDE3AFEN1DAO
SCHEMBL8871948 0.78 LMNA (0.54) TNKS2PDE3BPDE3AFEN1DAO
SCHEMBL8873456 0.77 GPR17 (0.38) TNKS2PDE3BPDE3AFEN1DAO
SCHEMBL30753031 0.77 UPP1 (0.43) TNKS2PDE3BPDE3AFEN1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (5 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 TNKS2 1237/4885PDE3B 3725/4885PDE3A 3776/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK TNKS2 3508/4885PDE3B 2326/4885PDE3A 2048/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ TNKS2 843/4885PDE3B 3063/4885PDE3A 2883/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK TNKS2 3508/4885PDE3B 2326/4885PDE3A 2048/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK TNKS2 3508/4885PDE3B 2326/4885PDE3A 2048/4885

“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.