SCHEMBL6096052

SCHEMBL6096052

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
MPO P05164 7/20 0.38
SLC6A4 P31645 5/20 0.38
RIPK1 Q13546 1/20 0.37
GUSB P08236 3/20 0.35
AR P10275 3/20 0.34
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
RAB9A P51151 1/20 0.33
AURKA O14965 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
SCHEMBL6097786 0.86 DYRK1A (0.43) SLC6A4RIPK1ARNR3C1PGR
SCHEMBL6096554 0.84 DYRK1A (0.41) SLC6A4ARNR3C1PGRNR3C2
SCHEMBL6097207 0.84 AR (0.44) AR
SCHEMBL6094634 0.82 PARP1 (0.40) ARCCNE1CDK2NR3C1PGR
SCHEMBL6095205 0.82 CSNK2A2 (0.41) ARCCNE1CDK2
SCHEMBL6095726 0.81 ALDH1A1 (0.44) ARCDK2NR3C1PGRNR3C2
SCHEMBL6096077 0.81 AR (0.35) ARNR3C1PGRNR3C2AURKA
SCHEMBL6097186 0.79 MEN1 (0.37) RIPK1ARNR3C1PGRNR3C2
SCHEMBL6097076 0.79 GPR84 (0.40) GPR84SLC6A4CCNE1CDK2AURKA
SCHEMBL6097734 0.78 PRKCB (0.54) CCNT1CCNE1CDK2CDK9

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 GPR84 4654/4885MPO 1165/4885SLC6A4 2636/4885

“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.