SCHEMBL6097076

SCHEMBL6097076

O=C1C=C(Cl)C(=O)C(c2c[nH]c3cccc(F)c23)=C1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
FFAR1 O14842 1/20 0.40
HTR2A P28223 5/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
PARP1 P09874 2/20 0.31
FEN1 P39748 1/20 0.31
SLC6A4 P31645 2/20 0.31
PRKD3 O94806 1/20 0.31
CCNB2 O95067 1/20 0.31

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
SCHEMBL6096903 0.86 GPR84 (0.42) GPR84PTPRCPTPRFPTPN1CDC25B
SCHEMBL6096170 0.84 CYP2A6 (0.41) GPR84PTPRCPTPRFPTPN1CDC25B
SCHEMBL6094532 0.84 HTR2A (0.40) GPR84HTR2APTPRCPTPRFPTPN1
SCHEMBL6094641 0.81 HTR2A (0.44) HTR2AHTR1AHTR7HTR6HTR2C
SCHEMBL6096052 0.79 GPR84 (0.40) GPR84AURKAAURKBSLC6A4CCNE1
SCHEMBL6097734 0.78 PRKCB (0.54) PTPRCPTPRFPTPN1CDC25BSIRT2
SCHEMBL9376150 0.74 CDK4 (0.56) GPR84FFAR1HTR2AHTR1AHTR7
SCHEMBL6096429 0.74 IGF1R (0.44) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL6095486 0.74 TDO2 (0.46) GPR84CCNE2CDK4PRKACAPRKACG
SCHEMBL6097228 0.74 FFAR1 (0.40) GPR84FFAR1HTR2AHTR1AHTR7

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 4654/4885FFAR1 4864/4885HTR2A 1843/4885

“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.