SCHEMBL6798131

SCHEMBL6798131

CCOC(=O)c1cc(F)c(N2CCCC2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE4B Q07343 1/20 0.46
TSHR P16473 3/20 0.44
STAT3 P40763 1/20 0.42
CASP1 P29466 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41

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
SCHEMBL7211156 0.86 KMT2A (0.43) ALDH1A1L3MBTL1MEN1KMT2ASTAT3
SCHEMBL9016703 0.84 MAPT (0.41) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL4510744 0.79 TSHR (0.57) ALDH1A1L3MBTL1LMNATSHRCASP1
SCHEMBL2001481 0.78 TSHR (0.52) ALDH1A1L3MBTL1LMNAKMT2ATSHR
SCHEMBL2384845 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL31057346 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL4508521 0.75 MAPT (0.52) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL3606905 0.75 MEN1 (0.47) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL27213906 0.74 CA12 (0.47) ALDH1A1L3MBTL1LMNAKMT2ATSHR
SCHEMBL4519444 0.74 CTSK (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed
US-6696452-B2 GLYCOGEN SYNTHASE KINASE-3 AND AURORA-2 A SERINE/THREONINE PROTEIN KINASE INHIBITORS; ANTIDIABETIC AND ANTICANCER AGENTS AND ALZHEIMER'S DISEASE TREATMENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-24 US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
EP-1318814-A2 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-18 EP disclosed
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US disclosed
WO-2002022602-A2 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO 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 (3 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A ALDH1A1 4461/4885L3MBTL1 3055/4885LMNA 2620/4885
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents NQO2, TOP1, TOP2A ALDH1A1 3064/4885L3MBTL1 4814/4885LMNA 3642/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 4581/4885L3MBTL1 3615/4885LMNA 3347/4885

“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.