SCHEMBL3045807

SCHEMBL3045807

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cc(Cl)c(F)cc3F)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
NR1H2 P55055 6/20 0.31
NR1H3 Q13133 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL3039964 0.92 LMNA (0.34) TBK1IDO1TDO2IDO2NR1H2
SCHEMBL3040294 0.92 SOS1 (0.34) TBK1IDO1TDO2IDO2NR1H2
SCHEMBL3046630 0.91 IDO1 (0.35) TBK1IDO1TDO2IDO2NR1H2
SCHEMBL3047031 0.90 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3042102 0.90 LMNA (0.34) TBK1NR1H2
SCHEMBL3047986 0.89 HTR6 (0.37) TBK1NR1H2NR1H3
SCHEMBL3040219 0.89 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL3048077 0.89 NR1H2 (0.34) TBK1NR1H2NR1H3
SCHEMBL3046639 0.89 NR1H2 (0.35) TBK1NR1H2NR1H3
SCHEMBL3043784 0.88 BDKRB1 (0.34) TBK1HRH3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 TBK1 3936/4885HRH3 229/4885IDO1 1683/4885

“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.