SCHEMBL3047368

SCHEMBL3047368

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
BDKRB1 P46663 3/20 0.37
MAP3K7 O43318 3/20 0.35
IRAK1 P51617 3/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
NR1H2 P55055 7/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL3040914 0.93 NR1H2 (0.38) HTR6BDKRB1MAP3K7IRAK1IRAK4
SCHEMBL3047662 0.92 NR1H2 (0.37) NR1H2ALDH1A1KMT2A
SCHEMBL3039560 0.92 NR1H2 (0.40) NR1H2
SCHEMBL3049978 0.91 NR1H2 (0.39) BDKRB1NR1H2
SCHEMBL3047451 0.90 NR1H2 (0.40) HTR6NR1H2
SCHEMBL3040414 0.89 NR1H2 (0.34) BDKRB1NR1H2ALDH1A1
SCHEMBL3039690 0.89 NR1H2 (0.40) BDKRB1NR1H2
SCHEMBL3045896 0.88 MEN1 (0.34) NR1H2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3044144 0.88 NR1H2 (0.33) BDKRB1NR1H2
SCHEMBL3042182 0.88 NR1H2 (0.40) NR1H2

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 HTR6 360/4885BDKRB1 2607/4885MAP3K7 3216/4885

“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.