SCHEMBL5447997

SCHEMBL5447997

COc1cc(CNc2cc(-c3cccc(F)c3)nc3ccnn23)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
CCNE1 P24864 7/20 0.48
KCNN3 Q9UGI6 5/20 0.47
PIK3CG P48736 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
RAD52 P43351 1/20 0.43
BRAF P15056 1/20 0.41
KCNN1 Q92952 1/20 0.41
KCNN2 Q9H2S1 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL5451856 0.89 CDK2 (0.52) CDK2KMT2AMEN1CCNE1KCNN3
SCHEMBL5453886 0.85 CDK2 (0.55) CDK2CCNE1KCNN3PIK3CGCCNT1
SCHEMBL5449800 0.82 CDK2 (0.47) CDK2KMT2AMEN1CCNE1KCNN3
SCHEMBL5454745 0.82 CDK2 (0.47) CDK2CCNE1KCNN3PIK3CGKCNN1
SCHEMBL5451924 0.80 KCNN3 (0.48) CDK2CCNE1KCNN3KCNN1KCNN2
SCHEMBL5468148 0.79 KCNN3 (0.47) CDK2KMT2AMEN1CCNE1KCNN3
SCHEMBL5453724 0.78 KCNN3 (0.70) KCNN3KCNN1KCNN2
SCHEMBL5463452 0.76 CDK2 (0.61) CDK2CCNE1KCNN3CCNT1CDK9
SCHEMBL5451908 0.76 CDK2 (0.72) CDK2CCNE1KCNN3CCNT1CDK9
SCHEMBL5456522 0.74 CDK2 (0.63) CDK2CCNE1KCNN3CCNT1CDK9

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 284/4885KMT2A 2779/4885MEN1 4094/4885

“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.