SCHEMBL6803829

SCHEMBL6803829

NC1CCN(c2cc3c(cc2F)c(=O)n(O)c(=O)n3-c2cc(F)c(F)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PIM3 Q86V86 2/20 0.47
PRKD3 O94806 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47
DYRK1A Q13627 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.47
TOP1 P11387 6/20 0.42
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TOP2A P11388 9/20 0.33
TOP2B Q02880 7/20 0.33
CSNK1G1 Q9HCP0 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
SCHEMBL6803225 0.89 KMT2A (0.47) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL7007292 0.88 KMT2A (0.46) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6797144 0.86 PRKD3 (0.45) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL7006179 0.85 PRKD3 (0.44) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL13713252 0.84 PIM1 (0.51) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6799449 0.84 PIM1 (0.51) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6800209 0.84 PIM1 (0.51) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6806917 0.84 PRKD3 (0.43) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL7013015 0.83 PIM1 (0.50) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6806741 0.83 PIM1 (0.43) PIM1GSK3AGSK3BPIM3PRKD3

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 8 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
EP-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO 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 PIM1 2808/4885GSK3A 1952/4885GSK3B 2231/4885

“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.