SCHEMBL5458716

SCHEMBL5458716

Cc1csc(-c2cc(NCc3ccncc3)n3nccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.56
KCNN3 Q9UGI6 6/20 0.47
CCNE1 P24864 6/20 0.46
KCNN1 Q92952 2/20 0.46
KCNN2 Q9H2S1 2/20 0.46
PDE10A Q9Y233 2/20 0.43
GSK3B P49841 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
SCHEMBL5454018 0.81 CDK2 (0.67) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL14427341 0.79 CDK2 (0.76) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL5455497 0.77 CDK2 (0.64) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL5452864 0.77 CDK2 (0.67) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL5452857 0.74 CDK2 (0.65) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL13117302 0.73 KCNN3 (0.80) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL29645010 0.73 CDK2 (0.70) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL12953673 0.73 CDK2 (0.70) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL14427337 0.72 CDK2 (1.00) CDK2KCNN3CCNE1KCNN1KCNN2
SCHEMBL5451908 0.72 CDK2 (0.72) CDK2KCNN3CCNE1KCNN1KCNN2

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 CDK2 284/4885KCNN3 3885/4885CCNE1 223/4885

“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.