SCHEMBL6098129

SCHEMBL6098129

O=C1C=C(Cl)C(=O)C(c2c[nH]c3ccc(Br)cc23)=C1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
IGF1R P08069 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
CAMK2D Q13557 3/20 0.43
CLK1 P49759 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
HTR2A P28223 2/20 0.40
PDPK1 O15530 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
SCHEMBL6094623 0.90 IMPDH2 (0.45) CAMK2DCLK1CDK5CDK5R1CCNB2
SCHEMBL6098311 0.86 F7 (0.43) CAMK2DGPR84HTR1AHTR7HTR6
SCHEMBL6096429 0.84 IGF1R (0.44) IGF1RPDGFRBKITPDGFRAFLT1
SCHEMBL6095976 0.84 TSHR (0.39) PDGFRBKITKDRHTR1AHTR7
SCHEMBL6094987 0.84 MEN1 (0.41) PDGFRBHTR1AHTR7HTR2ASLC6A4
SCHEMBL6094431 0.81 KDR (0.50) KDRGPR84HTR1AHTR7HTR6
SCHEMBL6097734 0.81 PRKCB (0.54) PDGFRBCAMK2DCCNB2CDK1PIM1
SCHEMBL6094956 0.78 ALDH1A1 (0.43) CAMK2DGPR84CCNB2CDK1PIM1
SCHEMBL6095486 0.76 TDO2 (0.46) GPR84PRKACAPRKACGPRKACBIDO1
SCHEMBL6098483 0.76 MEN1 (0.40) CAMK2DHTR2ACCNB2CDK1PIM1

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 EGFR 4671/4885ERBB2 3969/4885IGF1R 3709/4885

“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.