SCHEMBL2882576

SCHEMBL2882576

CC(C)c1c(C(N)=O)ccc(C(N)=O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC7 O00311 1/20 0.39
NNMT P40261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
METAP2 P50579 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL28887386 0.89 SIRT3 (0.40) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL8011592 0.89 IRAK4 (0.38) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL28386490 0.88 DGAT1 (0.43) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL6599789 0.88 ERN1 (0.43) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL28882111 0.88 IRAK4 (0.37) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL2977145 0.86 IRAK4 (0.50) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL28573752 0.83 CTSS (0.36) IRAK4ALDH1A1MAPTCDC7KMT2A
SCHEMBL9780987 0.83 IRAK4 (0.42) IRAK4ALDH1A1MAPTKDM4EHPGD
SCHEMBL23893130 0.82 GRM1 (0.37) IRAK4CDC7NNMTSIRT3TDP1
SCHEMBL27676583 0.82 IRAK4 (0.36) IRAK4ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-7838521-B2 3-oxa-10-aza-phenanthrenes NYCOMED GMBH (DE) 2010-11-23 US disclosed
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2009-09-24 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes ALTANA PHARMA AG (DE) 2007-11-08 US disclosed
CN-1906230-A Method for producing carbonyl group-containing organosilicon compound WACKER CHEMIE GMBH (DE) 2007-01-31 CN disclosed
CN-1761787-A Oxidation system comprising macrocyclic metal complexes, method for the production and use thereof LANXESS B V (NL) 2006-04-19 CN 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-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives PDE4A, PDE4B, PDE3A IRAK4 901/4885ALDH1A1 215/4885MAPT 4334/4885
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes PDE4A, PDE4B, PDE3A IRAK4 646/4885ALDH1A1 233/4885MAPT 4613/4885
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives PDE4A, PDE4B, PDE3A IRAK4 901/4885ALDH1A1 215/4885MAPT 4334/4885

“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.