SCHEMBL5456524

SCHEMBL5456524

COc1ccc(CNc2cc(-c3cccc(C(C)=O)c3)nc3ccnn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.55
PTGDR Q13258 2/20 0.53
CCNE1 P24864 8/20 0.49
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.44
HTT P42858 1/20 0.44
FYN P06241 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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 0.88 CDK2 (0.61) CDK2PTGDRCCNE1CCNT1CDK9
SCHEMBL5456522 0.86 CDK2 (0.63) CDK2CCNE1CCNT1CDK9KCNN3
SCHEMBL5448078 0.83 CDK2 (0.51) CDK2CCNE1CCNT1CDK9TP53
SCHEMBL31560186 0.81 CDK2 (0.66) CDK2CCNE1CCNT1CDK9HTT
SCHEMBL5451908 0.81 CDK2 (0.72) CDK2PTGDRCCNE1CCNT1CDK9
SCHEMBL5452944 0.81 TP53 (0.61) CDK2CCNE1CCNT1CDK9KCNN3
SCHEMBL5463491 0.79 CDK2 (0.49) CDK2CCNE1CCNT1CDK9KCNN3
SCHEMBL5449818 0.78 CDK2 (0.48) CDK2CCNE1CCNT1CDK9KCNN3
SCHEMBL5468155 0.76 KCNN3 (0.55) LMNAHTTKCNN3TP53KDM4E
SCHEMBL5456487 0.74 KCNN3 (0.73) KCNN3KDM4E

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 284/4885PTGDR 1858/4885CCNE1 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.