SCHEMBL4829558

SCHEMBL4829558

CCOC(=O)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
PLAU P00749 1/20 0.47
MAPK14 Q16539 1/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4755106 0.85 PIK3CA (0.55) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL23662606 0.85 MRGPRX4 (0.49) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL1172355 0.84 PIK3CA (0.54) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL1719715 0.84 MEN1 (0.51) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4755040 0.83 PIK3CA (0.56) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL2384844 0.81 PIK3CA (0.56) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL20098275 0.81 KDM4E (0.50) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14434290 0.81 PIK3CA (0.51) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4690718 0.80 MEN1 (0.71) PIK3CAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6629680 0.80 MAPT (0.49) ALDH1A1KDM4ELMNAMAPTPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators ASTEX THERAPEUTICS, LTD. (UK) 2007-09-06 US disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 US disclosed
EP-1756082-A1 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS Astex Therapeutics Limited (GB) 2007-02-28 EP disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
WO-2006040569-A1 THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS ASTEX THERAPEUTICS LIMITED (GB) 2006-04-20 WO disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
EP-1615907-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astex Therapeutics Limited (GB) 2006-01-18 EP disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
WO-2005100338-A1 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-10-27 WO disclosed
WO-2004089929-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2004-10-21 WO disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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 (4 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-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 PIK3CA 2974/4885MEN1 4717/4885KMT2A 3434/4885
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators MAPK1, MAPK3, MAPK10 PIK3CA 1297/4885MEN1 4470/4885KMT2A 2747/4885
US-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B PIK3CA 4493/4885MEN1 2386/4885KMT2A 2740/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B PIK3CA 4493/4885MEN1 2386/4885KMT2A 2740/4885

“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.