SCHEMBL2822641

SCHEMBL2822641

COc1ccc2ncc(C#N)c(CC(O)CN3CCC(NC(=O)O)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.49
SLC2A1 P11166 3/20 0.42
KCNJ1 P48048 1/20 0.41

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
SCHEMBL17844944 0.80 KCNH2 (0.43) KCNH2
SCHEMBL2821149 0.78 SLC2A1 (0.44) KCNH2SLC2A1
SCHEMBL2819381 0.76 KCNH2 (0.45) KCNH2
SCHEMBL5746904 0.75 KCNH2 (0.62) KCNH2
SCHEMBL17923277 0.74 KCNH2 (0.40) KCNH2
SCHEMBL17923276 0.74 KCNH2 (0.40) KCNH2
SCHEMBL3541372 0.74 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL3554235 0.74 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL3672261 0.73 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3672251 0.73 KCNH2 (0.51) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT KCNH2 2592/4885SLC2A1 4507/4885KCNJ1 4007/4885

“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.