SCHEMBL2821119

SCHEMBL2821119

O=c1cnc2ccc(F)c3c2n1C(CN1CCC(NCc2cc4c(cn2)OCCO4)CC1)C3

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.64
TOP2A P11388 1/20 0.55
SLC2A1 P11166 1/20 0.48

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
SCHEMBL2821155 0.94 KCNH2 (0.68) KCNH2TOP2ASLC2A1
Hydrochloric Acid SCHEMBL2819606 0.93 KCNH2 (0.67) KCNH2TOP2ASLC2A1
Benzoic Acid SCHEMBL2822649 0.93 KCNH2 (0.56) KCNH2TOP2ASLC2A1
SCHEMBL2821273 0.90 KCNH2 (0.69) KCNH2TOP2ASLC2A1
SCHEMBL2822290 0.90 KCNH2 (0.58) KCNH2TOP2ASLC2A1
Hydrochloric Acid SCHEMBL2824637 0.89 KCNH2 (0.68) KCNH2TOP2ASLC2A1
Hydrochloric Acid SCHEMBL2819372 0.89 KCNH2 (0.68) KCNH2TOP2ASLC2A1
Hydrochloric Acid SCHEMBL2820309 0.89 KCNH2 (0.57) KCNH2TOP2ASLC2A1
SCHEMBL2818725 0.87 KCNH2 (0.59) KCNH2TOP2ASLC2A1
SCHEMBL3604475 0.87 KCNH2 (0.67) KCNH2TOP2ASLC2A1

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-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
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US 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 2592/4885TOP2A 9/4885SLC2A1 4507/4885

“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.