SCHEMBL6799724

SCHEMBL6799724

NC1CCN(c2cc3c(cc2F)c(=O)n(O)c(=O)n3Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.58
PRKD3 O94806 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
RPS6KA3 P51812 1/20 0.49
DYRK1A Q13627 1/20 0.49
PIM3 Q86V86 1/20 0.49
CSNK1G3 Q9Y6M4 1/20 0.49
ERCC1 P07992 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
THRB P10828 2/20 0.40
DPP4 P27487 6/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39

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
SCHEMBL6806653 0.86 TOP1 (0.51) TOP1ERCC1ERCC5FEN1ERCC4
SCHEMBL8124613 0.82 TOP1 (0.47) TOP1ERCC1ERCC5FEN1ERCC4
SCHEMBL6799449 0.81 PIM1 (0.51) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6800209 0.81 PIM1 (0.51) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL13713252 0.81 PIM1 (0.51) TOP1PRKD3PIM1GSK3AGSK3B
Hydrochloric Acid SCHEMBL7013015 0.80 PIM1 (0.50) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6803829 0.79 PIM1 (0.47) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6797144 0.79 PRKD3 (0.45) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6803225 0.79 KMT2A (0.47) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6806917 0.78 PRKD3 (0.43) TOP1PRKD3PIM1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US claimed
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP disclosed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US disclosed
US-6331538-B1 TREATMENT OF BACTERIAL INFECTION WARNER-LAMBERT COMPANY 2001-12-18 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-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents NQO2, TOP1, TOP2A TOP1 2/4885PRKD3 1822/4885PIM1 2808/4885

“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.