SCHEMBL335998

SCHEMBL335998

COc1ccc2ncc(=O)n([C@@H](CO)CO[Si](C)(C)C(C)(C)C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
PDE10A Q9Y233 7/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 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
SCHEMBL336178 0.86 PDE10A (0.42) KCNH2PDE10APIK3CAMTOR
SCHEMBL15850834 0.80 KCNH2 (0.41) KCNH2PDE10A
SCHEMBL15850865 0.75 KCNH2 (0.39) KCNH2PDE10A
SCHEMBL20753951 0.73 PDE10A (0.42) KCNH2PDE10APIK3CAMTOR
SCHEMBL21321489 0.71 PDE10A (0.42) KCNH2PDE10A
SCHEMBL3405904 0.69 KCNH2 (0.39) KCNH2PDE10A
SCHEMBL3405907 0.69 KCNH2 (0.39) KCNH2PDE10A
SCHEMBL1432243 0.69 P2RX3 (0.43) KCNH2PDE10A
SCHEMBL15850814 0.68 CYP1A2 (0.41) KCNH2PDE10A
SCHEMBL334845 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB KCNH2 2851/4885PDE10A 627/4885PIK3CA 2884/4885

“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.