SCHEMBL2819381

SCHEMBL2819381

COc1ccc2ncc(C#N)c(CC(O)CO)c2n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
CSF1R P07333 2/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34

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
SCHEMBL4350687 0.82 KCNH2 (0.42) KCNH2
SCHEMBL1838608 0.82 KCNH2 (0.39) KCNH2PIK3CAMTOR
SCHEMBL3430268 0.82 KCNH2 (0.42) KCNH2
SCHEMBL4350684 0.82 KCNH2 (0.42) KCNH2
SCHEMBL4214405 0.77 KCNH2 (0.36) KCNH2
SCHEMBL2823038 0.77 KCNH2 (0.43) KCNH2CSF1RPIK3CAMTOR
SCHEMBL4214402 0.77 KCNH2 (0.36) KCNH2
SCHEMBL2822641 0.76 KCNH2 (0.49) KCNH2
SCHEMBL22013370 0.76 KCNH2 (0.38) KCNH2CSF1R
SCHEMBL14358217 0.75 KCNH2 (0.60) KCNH2

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 2592/4885CSF1R 3575/4885PIK3CA 1571/4885

“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.