SCHEMBL709395

SCHEMBL709395

N#Cc1ccc2c(c1)N(CCN1CC3C(N)C3C1)C(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
PIK3CG P48736 1/20 0.40
KMO O15229 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
USP30 Q70CQ3 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
DRD4 P21917 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5133275 0.87 KCNH2 (0.52) KCNH2PIK3CGKMOPOLBMAPT
SCHEMBL708349 0.85 KCNH2 (0.59) KCNH2PIK3CGKMOUSP30DRD4
SCHEMBL921621 0.85 KCNH2 (0.49) KCNH2KMOPOLBMAPTTSHR
SCHEMBL707963 0.80 KCNH2 (0.46) KCNH2PIK3CGKMOPOLBMAPT
SCHEMBL704086 0.78 KCNH2 (0.47) KCNH2PIK3CGKMOPOLBMAPT
SCHEMBL704085 0.78 KCNH2 (0.47) KCNH2PIK3CGKMOPOLBMAPT
SCHEMBL705942 0.78 KCNH2 (0.49) KCNH2PIK3CGKMOPOLBMAPT
Trifluoroacetic Acid SCHEMBL708560 0.78 KCNH2 (0.53) KCNH2KMOPOLBMAPTUSP30
SCHEMBL10164939 0.76 PIK3CG (0.49) KCNH2PIK3CGKMOPOLBMAPT
SCHEMBL7279865 0.76 KMO (0.68) KCNH2PIK3CGKMOPOLBMAPT

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 6 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

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 KCNH2 4242/4885PIK3CG 277/4885KMO 2826/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885PIK3CG 277/4885KMO 2826/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885PIK3CG 277/4885KMO 2826/4885

“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.