SCHEMBL5452944

SCHEMBL5452944

COc1ccc(CNc2cc(-c3ccc(C)cc3)nc3ccnn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.61
CCNT1 O60563 1/20 0.54
CDK9 P50750 1/20 0.54
CDK2 P24941 8/20 0.53
CCNE1 P24864 7/20 0.53
CLK1 P49759 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KCNN3 Q9UGI6 2/20 0.49
ALPL P05186 1/20 0.49
ALPG P10696 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL5456522 0.90 CDK2 (0.63) TP53CCNT1CDK9CDK2CCNE1
SCHEMBL31560186 0.90 CDK2 (0.66) TP53CCNT1CDK9CDK2CCNE1
SCHEMBL31560200 0.86 CDK2 (0.61) TP53CDK2CCNE1KDM4EALDH1A1
SCHEMBL5454018 0.86 CDK2 (0.67) TP53CDK2CCNE1KCNN3
SCHEMBL5463452 0.86 CDK2 (0.61) TP53CCNT1CDK9CDK2CCNE1
SCHEMBL5463491 0.85 CDK2 (0.49) TP53CCNT1CDK9CDK2CCNE1
SCHEMBL5448078 0.85 CDK2 (0.51) TP53CCNT1CDK9CDK2CCNE1
SCHEMBL5449818 0.84 CDK2 (0.48) TP53CCNT1CDK9CDK2CCNE1
SCHEMBL5468155 0.83 KCNN3 (0.55) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31560174 0.82 ALDH1A1 (0.55) TP53CCNT1CDK9CDK2CCNE1

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 5 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
CN-119899187-A Synthesis method of pyrazolo [1,5-a ] pyrimidine-7-amine compound 湖南九典制药股份有限公司 2025-04-29 CN disclosed
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 TP53 840/4885CCNT1 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.