SCHEMBL6097786

SCHEMBL6097786

O=C1C=C(Cl)C(=O)C(c2c[nH]c3c(Cl)cccc23)=C1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.43
AR P10275 3/20 0.43
NR4A2 P43354 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
HTR2A P28223 1/20 0.38
RIPK1 Q13546 3/20 0.38
DAO P14920 1/20 0.37
SLC6A4 P31645 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AHR P35869 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL6097207 0.86 AR (0.44) ARNR4A2PRKCBPRKCAPRKCH
SCHEMBL6096554 0.86 DYRK1A (0.41) DYRK1AARSLC6A4AURKAAURKB
SCHEMBL6096052 0.86 GPR84 (0.40) ARRIPK1SLC6A4AURKAAURKB
SCHEMBL6094634 0.84 PARP1 (0.40) ARPRKCBPRKCAPRKCHPRKCE
SCHEMBL6095205 0.84 CSNK2A2 (0.41) ARPRKCBPRKCAPRKCHPRKCE
SCHEMBL6096077 0.83 AR (0.35) ARPRKCBPRKCAPRKCHPRKCE
SCHEMBL6095726 0.83 ALDH1A1 (0.44) DYRK1AARHTR2AAURKAAURKB
SCHEMBL6097186 0.81 MEN1 (0.37) ARHTR2ARIPK1DAONR3C1
SCHEMBL6097734 0.80 PRKCB (0.54) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL6094232 0.79 AR (0.34) ARPRKCBPRKCAPRKCHPRKCE

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 DYRK1A 2359/4885AR 4343/4885NR4A2 3653/4885

“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.