SCHEMBL3205419

SCHEMBL3205419

NC(=O)Nc1[nH]c2cc(CCC3CC3)ccc2c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
KIF11 P52732 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
MAP1LC3A Q9H492 1/20 0.34
TBK1 Q9UHD2 2/20 0.33
NR3C2 P08235 6/20 0.33
PARP14 Q460N5 1/20 0.32
GSK3B P49841 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL9885297 0.84 KDM4E (0.38) KIF11KDM4EALDH1A1NR3C2
SCHEMBL3219057 0.83 GSK3B (0.37) KIF11KDM4EALDH1A1NR3C2GSK3B
SCHEMBL9885134 0.83 CHEK2 (0.43) KIF11KDM4EALDH1A1
SCHEMBL3195778 0.82 NR3C2 (0.49) KDM4EALDH1A1NR3C2GSK3B
SCHEMBL9885148 0.82 PDE3B (0.38) KIF11KDM4EALDH1A1NR3C2
SCHEMBL3835840 0.81 CHEK1 (0.42) KIF11KDM4EALDH1A1
SCHEMBL3205898 0.81 PARP1 (0.40) KIF11KDM4EALDH1A1NR3C2CDK2
SCHEMBL3219292 0.81 PDE3B (0.38) KIF11KDM4EALDH1A1NR3C2
SCHEMBL3209318 0.80 PDGFRB (0.45) KIF11KDM4EALDH1A1CDK2
SCHEMBL3829147 0.80 CHEK1 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG GPR84 2971/4885KIF11 2732/4885KDM4E 1670/4885

“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.