SCHEMBL704132

SCHEMBL704132

O=c1cnc2ccc(F)c(F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
HCAR1 Q9BXC0 2/20 0.38
NOS2 P35228 14/20 0.36
NOS3 P29474 11/20 0.36
NOS1 P29475 11/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2825718 0.82 DAO (0.47) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL3345823 0.82 MAPKAPK2 (0.37) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL24156864 0.82 MAPKAPK2 (0.37) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30218628 0.82 MAPKAPK2 (0.37) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30297088 0.78 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30297078 0.78 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30548630 0.76 HCAR1 (0.42) HCAR1CA12CA9
SCHEMBL707948 0.70 DAO (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL30196993 0.70 MAPKAPK2 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL709463 0.70 MAPKAPK2 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604288-A1 REGIOSELECTIVE ONE-STEP PROCESS FOR SYNTHESIZING 2-HYDROXYQUINOXALINE Development Center for Biotechnology (TW) 2020-02-05 EP disclosed
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 MAPKAPK2 3825/4885RPS6KA3 1899/4885CSNK2A1 4226/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAPKAPK2 3825/4885RPS6KA3 1899/4885CSNK2A1 4226/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAPKAPK2 3825/4885RPS6KA3 1899/4885CSNK2A1 4226/4885

“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.