SCHEMBL1399893

SCHEMBL1399893

Cc1ccc(C(=O)O)cc1-n1ccc2ccc(CCCN(C)C)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
MAPK14 Q16539 4/20 0.38
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.35
SRC P12931 1/20 0.35
TP53 P04637 1/20 0.35
CSNK2A1 P68400 1/20 0.34
RARB P10826 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL1399880 0.89 RXRA (0.38) TBK1MAPK14RXRA
SCHEMBL1399752 0.82 MAPK14 (0.47) MAPK14
SCHEMBL1399807 0.81 CYP2C9 (0.45) MAPK14GAA
SCHEMBL1399865 0.81 KDM4E (0.45) MAPK14
SCHEMBL1399902 0.78 GAA (0.44) MAPK14GAARXRATP53
SCHEMBL1399726 0.76 MAPK14 (0.55) MAPK14
SCHEMBL1400058 0.76 MAPK14 (0.53) MAPK14
SCHEMBL1399936 0.74 MAPK14 (0.38) MAPK14RXRA
SCHEMBL1399786 0.73 MAPK14 (0.52) MAPK14
SCHEMBL1399945 0.73 MCL1 (0.42) MAPK14GAARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831174-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-7786115-B2 Amide derivatives ASTRAZENECA AB (SE) 2010-08-31 US disclosed
US-20080146566-A1 Amide Derivatives ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1831174-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067444-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-06-29 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-20080146566-A1 Amide Derivatives IL6, IL1B, IL1A TBK1 2350/4885GRIN2D 2099/4885GRIN2A 2695/4885

“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.