SCHEMBL5453724

SCHEMBL5453724

COc1cc(CNc2cc(Cl)nc3ccnn23)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 14/20 0.70
KCNN1 Q92952 2/20 0.64
KCNN2 Q9H2S1 2/20 0.64
PDE10A Q9Y233 1/20 0.56
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL5456487 0.83 KCNN3 (0.73) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5453886 0.82 CDK2 (0.55) KCNN3KCNN1KCNN2
SCHEMBL5468148 0.80 KCNN3 (0.47) KCNN3KCNN1KCNN2PDE10ATUBB4A
SCHEMBL5451856 0.80 CDK2 (0.52) KCNN3KCNN1KCNN2
SCHEMBL5454745 0.79 CDK2 (0.47) KCNN3KCNN1KCNN2PDE10ATUBB4A
SCHEMBL5449800 0.79 CDK2 (0.47) KCNN3KCNN1KCNN2TUBB4ATUBB
SCHEMBL5451924 0.79 KCNN3 (0.48) KCNN3KCNN1KCNN2TUBB4ATUBB
SCHEMBL13117302 0.78 KCNN3 (0.80) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5447997 0.78 CDK2 (0.53) KCNN3KCNN1KCNN2
SCHEMBL902740 0.76 KCNN3 (0.67) KCNN3KCNN1KCNN2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA KCNN3 3885/4885KCNN1 3422/4885KCNN2 3854/4885

“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.