SCHEMBL5451924

SCHEMBL5451924

COc1cc(CNc2cc(-c3ccco3)nc3ccnn23)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 4/20 0.48
GSK3B P49841 1/20 0.48
CDK2 P24941 6/20 0.45
CCNE1 P24864 5/20 0.45
MAPT P10636 3/20 0.42
KCNN1 Q92952 1/20 0.42
KCNN2 Q9H2S1 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
UBE2I P63279 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL5453886 0.82 CDK2 (0.55) KCNN3CDK2CCNE1MAPTKCNN1
SCHEMBL5449800 0.82 CDK2 (0.47) KCNN3CDK2CCNE1KCNN1KCNN2
SCHEMBL7832600 0.82 MAPT (0.41) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL5451856 0.80 CDK2 (0.52) KCNN3CDK2CCNE1MAPTKCNN1
SCHEMBL5468148 0.80 KCNN3 (0.47) KCNN3CDK2CCNE1MAPTKCNN1
SCHEMBL5447997 0.80 CDK2 (0.53) KCNN3CDK2CCNE1KCNN1KCNN2
SCHEMBL5454745 0.80 CDK2 (0.47) KCNN3CDK2CCNE1KCNN1KCNN2
SCHEMBL5453724 0.79 KCNN3 (0.70) KCNN3KCNN1KCNN2TUBB4ATUBB
SCHEMBL31560174 0.72 ALDH1A1 (0.55) CDK2CCNE1MAPTTSHRGAA
SCHEMBL13309185 0.70 ALDH1A1 (0.50) MAPTTSHRGAAADORA3ADORA2A

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 3885/4885GSK3B 1925/4885CDK2 284/4885

“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.