SCHEMBL6801430

SCHEMBL6801430

O=C(O)c1cc(F)c(F)cc1Nc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.57
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
DAPK3 O43293 2/20 0.52
PRKD3 O94806 2/20 0.52
PIM1 P11309 2/20 0.52
CDK2 P24941 2/20 0.52
FLT3 P36888 2/20 0.52
CSNK1A1 P48729 2/20 0.52
GSK3B P49841 2/20 0.52
CDK9 P50750 2/20 0.52
JAK3 P52333 2/20 0.52
CDK5 Q00535 2/20 0.52
MAP4K2 Q12851 2/20 0.52
DYRK1A Q13627 2/20 0.52
MELK Q14680 2/20 0.52
HIPK2 Q9H2X6 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
STK17A Q9UEE5 2/20 0.52
CDC7 O00311 1/20 0.52

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
SCHEMBL26596770 0.86 AKR1C3 (0.58) MPODAPK3PRKD3PIM1CDK2
SCHEMBL30669422 0.86 MPO (0.74) MPOCTSVCTSLDAPK3PRKD3
SCHEMBL28741288 0.86 MPO (0.74) MPOCTSVCTSLDAPK3PRKD3
SCHEMBL29990454 0.83 DAPK3 (0.71) MPOCTSVCTSLDAPK3PRKD3
SCHEMBL11538614 0.83 DAPK3 (0.71) MPOCTSVCTSLDAPK3PRKD3
SCHEMBL6801722 0.82 CTSV (0.60) MPOCTSVCTSLDAPK3PRKD3
SCHEMBL6801970 0.81 AKR1C3 (0.73) CTSVCTSLMAPTGFERAKR1C3
SCHEMBL28741324 0.81 MPO (0.70) MPODAPK3PRKD3PIM1CDK2
SCHEMBL28741351 0.81 AKR1C3 (0.61) MPODAPK3PRKD3PIM1CDK2
SCHEMBL28741329 0.81 MPO (0.60) MPODAPK3PRKD3PIM1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683615-A Evodiamine derivative and preparation and application thereof 南华大学 2021-11-23 CN disclosed
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 MPO 292/4885CTSV 1587/4885CTSL 2111/4885

“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.