SCHEMBL706680

SCHEMBL706680

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
TNKS2 Q9H2K2 2/20 0.42
FEN1 P39748 1/20 0.40
DAO P14920 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
AR P10275 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP1 P09874 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 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
SCHEMBL705758 0.81 TNKS2 (0.45) PDE3BPDE3ATNKS2FEN1DAO
SCHEMBL30810554 0.81 TNKS2 (0.45) PDE3BPDE3ATNKS2FEN1DAO
SCHEMBL1261516 0.78 TNKS2 (0.42) PDE3BPDE3ATNKS2FEN1DAO
SCHEMBL30908654 0.78 CA12 (0.46) PDE3BPDE3ATNKS2HPGDLMNA
SCHEMBL15448464 0.78 CA12 (0.46) PDE3BPDE3ATNKS2HPGDLMNA
Ammonia Solution, Strong SCHEMBL19953469 0.76 TNKS2 (0.41) PDE3BPDE3ATNKS2FEN1DAO
SCHEMBL8871948 0.76 LMNA (0.54) PDE3BPDE3ATNKS2FEN1DAO
SCHEMBL2798796 0.75 KDM4E (0.58) PDE3BPDE3AHPGDALDH1A1KDM4E
SCHEMBL706591 0.74 PDE3B (0.43) PDE3BPDE3ATNKS2HPGDAR
SCHEMBL30753031 0.74 UPP1 (0.43) PDE3BPDE3ATNKS2FEN1DAO

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 8 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-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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP 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 (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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE3B 2326/4885PDE3A 2048/4885TNKS2 3508/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE3B 2326/4885PDE3A 2048/4885TNKS2 3508/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE3B 2326/4885PDE3A 2048/4885TNKS2 3508/4885

“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.