SCHEMBL1432243

SCHEMBL1432243

COc1ccc2ncc(=O)n(CC(O)CO)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 13/20 0.41
CYP3A4 P08684 11/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 4/20 0.41
PDE10A Q9Y233 1/20 0.40
TSHR P16473 7/20 0.39
CYP2C19 P33261 6/20 0.39
USP2 O75604 5/20 0.39
CYP2C9 P11712 4/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
CDK4 P11802 1/20 0.38

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
SCHEMBL910384 0.88 KCNH2 (0.44) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850859 0.88 KCNH2 (0.44) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850835 0.88 KCNH2 (0.44) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850814 0.87 CYP1A2 (0.41) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL4300323 0.84 CYP1A2 (0.43) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850866 0.83 CYP1A2 (0.40) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850834 0.82 KCNH2 (0.41) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850844 0.80 KCNH2 (0.42) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850926 0.79 CYP1A2 (0.46) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL910574 0.79 CYP1A2 (0.39) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO 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-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
EP-2300477-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (1 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-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE AR, RCC2, NR3C2 P2RX3 4851/4885KCNH2 2218/4885CYP1A2 1715/4885

“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.