SCHEMBL910574

SCHEMBL910574

COc1cnc2ccc(=O)n(CCC(O)CO)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.39
CYP3A4 P08684 7/20 0.38
ALDH1A1 P00352 6/20 0.38
CLK4 Q9HAZ1 4/20 0.38
CYP2C19 P33261 3/20 0.38
USP2 O75604 3/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 3/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MEN1 O00255 2/20 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
SCHEMBL15850859 0.91 KCNH2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL910384 0.91 KCNH2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL15850835 0.91 KCNH2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL1432243 0.79 P2RX3 (0.43) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL15850811 0.78 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL3671713 0.77 KCNH2 (0.44) KCNH2
SCHEMBL3671721 0.77 KCNH2 (0.44) KCNH2
SCHEMBL910325 0.77 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL15850841 0.77 KCNH2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL12065914 0.77 ALDH1A1 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 CYP1A2 2854/4885CYP3A4 1455/4885ALDH1A1 4501/4885

“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.