SCHEMBL5451908

SCHEMBL5451908

COc1cccc(-c2cc(NCc3ccncc3)n3nccc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.72
CCNT1 O60563 1/20 0.57
CDK9 P50750 1/20 0.57
CCNE1 P24864 7/20 0.54
CDK1 P06493 1/20 0.52
PTGDR Q13258 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KCNN3 Q9UGI6 3/20 0.46
KCNN1 Q92952 1/20 0.46
KCNN2 Q9H2S1 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CLK1 P49759 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5463452 0.93 CDK2 (0.61) CDK2CCNT1CDK9CCNE1PTGDR
SCHEMBL14427341 0.86 CDK2 (0.76) CDK2CCNE1CDK1KCNN3KCNN1
SCHEMBL5456522 0.84 CDK2 (0.63) CDK2CCNT1CDK9CCNE1KCNN3
SCHEMBL14427337 0.84 CDK2 (1.00) CDK2CCNE1CDK1KCNN3KCNN1
SCHEMBL31560186 0.81 CDK2 (0.66) CDK2CCNT1CDK9CCNE1KCNN3
SCHEMBL5456524 0.81 CDK2 (0.55) CDK2CCNT1CDK9CCNE1PTGDR
SCHEMBL5452864 0.80 CDK2 (0.67) CDK2CCNE1CDK1KCNN3KCNN1
SCHEMBL5454018 0.80 CDK2 (0.67) CDK2CCNE1CDK1KCNN3KCNN1
SCHEMBL5452944 0.78 TP53 (0.61) CDK2CCNT1CDK9CCNE1KCNN3
SCHEMBL5453886 0.77 CDK2 (0.55) CDK2CCNT1CDK9CCNE1KCNN3

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 284/4885CCNT1 105/4885CDK9 363/4885

“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.