SCHEMBL2822659

SCHEMBL2822659

O=C1CSc2ccc(CNC3CCN(CC4Cc5c(F)cnc6ccc(=O)n4c56)CC3)nc2N1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.54
KCNQ1 P51787 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
Hydrochloric Acid SCHEMBL2822927 0.99 KCNH2 (0.54) KCNH2KCNQ1CACNA1C
SCHEMBL13521746 0.86 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
SCHEMBL3547804 0.83 KCNH2 (0.74) KCNH2
SCHEMBL3545666 0.83 KCNH2 (0.74) KCNH2
Hydrochloric Acid SCHEMBL3544556 0.82 KCNH2 (0.73) KCNH2
SCHEMBL910408 0.81 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL910252 0.81 KCNH2 (0.47) KCNH2KCNQ1CACNA1C
SCHEMBL2818509 0.80 KCNH2 (0.56) KCNH2KCNQ1CACNA1C
SCHEMBL3327806 0.80 TOP2A (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL21372219 0.80 TOP2A (0.57) KCNH2KCNQ1CACNA1C

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 6 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 claimed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US claimed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP claimed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO claimed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US 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 2592/4885KCNQ1 3258/4885CACNA1C 2092/4885

“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.