SCHEMBL6097272

SCHEMBL6097272

Cn1cc(C2=C(Cl)C(=O)C=C(Cl)C2=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.55
CCND1 P24385 2/20 0.55
CDK2 P24941 2/20 0.55
CCNE2 O96020 1/20 0.55
CCNE1 P24864 1/20 0.55
CCNT1 O60563 1/20 0.54
CDK9 P50750 1/20 0.54
PTPRC P08575 1/20 0.53
GSK3B P49841 5/20 0.53
PRKCA P17252 1/20 0.53
GSK3A P49840 2/20 0.49
MEN1 O00255 1/20 0.49
RGS12 O14924 1/20 0.49
GMNN O75496 1/20 0.49
USP2 O75604 1/20 0.49
CCNB2 O95067 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL9571997 0.82 GSK3B (0.62) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7508106 0.75 CCNT1 (0.61) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL29419482 0.75 CCNT1 (0.61) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7195024 0.72 CCNT1 (0.76) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6098441 0.72 CCNT1 (0.57) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL28503706 0.72 CCNE2 (0.62) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL28369857 0.71 CCNT1 (0.56) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL5686048 0.71 CCNE2 (1.00) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL30319849 0.71 CCNE2 (1.00) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL28505491 0.71 CDK2 (0.60) CDK4CCND1CDK2CCNE2CCNE1

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
CN-110437124-B Preparation method of indoloquinone derivative 中国科学院成都有机化学有限公司 2020-12-22 CN disclosed
US-7057052-B2 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY (US) 2006-06-06 US disclosed
WO-2004050014-A2 SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS DUKE UNIVERSITY (US) 2004-06-17 WO disclosed
US-20040063774-A1 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY 2004-04-01 US 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-20040063774-A1 Heterocyclic quinones as pharmaceutical agents NQO1, RECQL, SDHA CDK4 106/4885CCND1 183/4885CDK2 95/4885

“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.