SCHEMBL5453937

SCHEMBL5453937

OCCc1ccc(Nc2cc(Cl)nc3ccnn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 14/20 0.53
▸ KCNN1 Q92952 2/20 0.53
▸ KCNN2 Q9H2S1 2/20 0.53
▸ PDE10A Q9Y233 2/20 0.46
▸ PRKAB2 O43741 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAG3 Q9UGI9 1/20 0.44
▸ PRKAG2 Q9UGJ0 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ MAPKAPK2 P49137 2/20 0.41
▸ PDE4B Q07343 1/20 0.39

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
SCHEMBL5443035 0.80 KCNN3 (0.52) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL13998582 0.80 KCNN3 (0.55) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL4318891 0.75 PDE10A (0.49) KCNN3KCNN1KCNN2PDE10A
SCHEMBL14427346 0.75 CDK2 (0.47) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5451854 0.74 KCNN3 (0.64) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL13998581 0.73 KCNN3 (0.53) KCNN3KCNN1KCNN2PDE10A
SCHEMBL31602095 0.72 KCNN3 (0.52) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL14158199 0.70 PDE10A (0.61) KCNN3KCNN1KCNN2PDE10APRKAB2
SCHEMBL13117302 0.69 KCNN3 (0.80) KCNN3KCNN1KCNN2PDE10A
SCHEMBL14427342 0.69 CCNE1 (0.55) —

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
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 — — US claimed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 — — EP claimed
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.

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