SCHEMBL5456487

SCHEMBL5456487

COc1ccc(CNc2cc(Cl)nc3ccnn23)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 14/20 0.73
KCNN1 Q92952 2/20 0.70
KCNN2 Q9H2S1 2/20 0.70
PDE10A Q9Y233 3/20 0.58
CRHR1 P34998 2/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5468155 0.86 KCNN3 (0.55) KCNN3KCNN1KCNN2PDE10AKDM4E
SCHEMBL5456353 0.83 KCNN3 (0.52) KCNN3KCNN1KCNN2KDM4E
SCHEMBL5449849 0.83 KCNN3 (0.52) KCNN3KCNN1KCNN2PDE10AKDM4E
SCHEMBL5453724 0.83 KCNN3 (0.70) KCNN3KCNN1KCNN2PDE10A
SCHEMBL13117302 0.83 KCNN3 (0.80) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5456522 0.81 CDK2 (0.63) KCNN3KCNN1KCNN2KDM4E
SCHEMBL5452944 0.80 TP53 (0.61) KCNN3KDM4E
SCHEMBL13985944 0.80 KCNN3 (0.77) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5458441 0.80 KCNN3 (0.48) KCNN3KCNN1KCNN2KDM4E
SCHEMBL5463452 0.79 CDK2 (0.61) KCNN3KCNN1KCNN2KDM4E

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.