SCHEMBL6095486

SCHEMBL6095486

O=C1C=C(Cl)C(=O)C(c2c[nH]c3cc(F)ccc23)=C1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 18/20 0.46
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
IDO1 P14902 1/20 0.41
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL6096429 0.90 IGF1R (0.44) IDO1GPR84
SCHEMBL6094956 0.86 ALDH1A1 (0.43) CCNE2CDK4PRKACAPRKACGPRKACB
SCHEMBL6098483 0.84 MEN1 (0.40) CCNE2CDK4PRKACAPRKACGPRKACB
SCHEMBL6094623 0.84 IMPDH2 (0.45) CCNE2CDK4PRKACAPRKACGPRKACB
SCHEMBL6097734 0.81 PRKCB (0.54) CCNE2CDK4PRKACAPRKACGPRKACB
SCHEMBL6098311 0.78 F7 (0.43) IDO1GPR84
SCHEMBL6098129 0.76 EGFR (0.44) PRKACAPRKACGPRKACBIDO1GPR84
SCHEMBL6094987 0.76 MEN1 (0.41) IDO1
SCHEMBL6095976 0.76 TSHR (0.39)
SCHEMBL6099166 0.75 CDK4 (0.39) CDK4CCND1CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDO2 1589/4885CCNE2 91/4885CDK4 106/4885

“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.