SCHEMBL3039964

SCHEMBL3039964

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(Cl)cc3F)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
RIPK3 Q9Y572 1/20 0.33
PTGS2 P35354 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
NR1H2 P55055 8/20 0.32
ACP1 P24666 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 1/20 0.31
NR1H3 Q13133 1/20 0.30
CXCR4 P61073 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
AVPR1B P47901 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
SCHEMBL3042102 0.94 LMNA (0.34) LMNAPTGS2TBK1NR1H2ACHE
SCHEMBL3045807 0.92 TBK1 (0.33) TBK1NR1H2IDO1TDO2IDO2
SCHEMBL3054209 0.92 LMNA (0.39) LMNAPTGS2TBK1NR1H2ACHE
SCHEMBL3046630 0.91 IDO1 (0.35) LMNAPTGS2TBK1NR1H2IDO1
SCHEMBL3044012 0.91 NR1H2 (0.37) LMNAPTGS2NR1H2CXCR4
SCHEMBL3040294 0.90 SOS1 (0.34) LMNATBK1NR1H2IDO1TDO2
SCHEMBL3047031 0.90 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3048077 0.90 NR1H2 (0.34) LMNATBK1NR1H2NR1H3CXCR4
SCHEMBL3049978 0.89 NR1H2 (0.39) LMNANR1H2NR1H3
SCHEMBL3047986 0.88 HTR6 (0.37) LMNATBK1NR1H2ALDH1A1NR1H3

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 4 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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP 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 LMNA 2965/4885RIPK3 1840/4885PTGS2 4174/4885

“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.