SCHEMBL600816

SCHEMBL600816

COc1ccc2ncc(=O)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CLK1 P49759 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
BTK Q06187 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
IDH1 O75874 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL602439 0.87 HCAR1 (0.42) SIRT2SIRT1ADORA2AADORA1PDGFRB
SCHEMBL3841730 0.81 CSF1R (0.43) ALDH1A1MAPT
SCHEMBL28647710 0.79 ALDH1A1 (0.40) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL14358553 0.77 CCNB2 (0.41) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL12942012 0.76 ALDH1A1 (0.38) SIRT2SIRT1ADORA2AADORA1CLK1
SCHEMBL586544 0.75 CLK1 (0.49) SIRT2SIRT1ADORA2AADORA1CLK1
SCHEMBL4573075 0.75 CYP1A2 (0.47) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL10327948 0.74 ALDH1A1 (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL30194326 0.74 KDM4E (0.39) SIRT2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL9978586 0.74 KDM4E (0.39) SIRT2ADORA2AADORA1KDM4EALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 EP disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-16 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
EP-2238138-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 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 (8 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-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY NQO2, AZI2, Q6ZSR9 SIRT2 153/4885SIRT1 339/4885ADORA2A 3955/4885
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD SIRT2 164/4885SIRT1 67/4885ADORA2A 2103/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH SIRT2 1399/4885SIRT1 1471/4885ADORA2A 4485/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SIRT2 2038/4885SIRT1 1305/4885ADORA2A 2666/4885
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 SIRT2 1463/4885SIRT1 1629/4885ADORA2A 4281/4885
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 SIRT2 2209/4885SIRT1 1468/4885ADORA2A 2891/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SIRT2 2038/4885SIRT1 1305/4885ADORA2A 2666/4885
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 SIRT2 1463/4885SIRT1 1629/4885ADORA2A 4281/4885

“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.