SCHEMBL20138080

SCHEMBL20138080

Cc1nc2cc(F)c(C#N)cn2c1CN1C(=O)[C@@H](C)Oc2c(F)cc(-c3cccc(S(C)(=O)=O)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.35
DPP4 P27487 1/20 0.32
ADORA2A P29274 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
RXRA P19793 1/20 0.31
NR1H3 Q13133 1/20 0.31
FASN P49327 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL20138148 0.94 NR1H2 (0.30) NR1H2
SCHEMBL20138238 0.89 NR1H2 (0.32) NR1H2
SCHEMBL20138253 0.86 MEN1 (0.35) NR1H2DPP4RXRANR1H3
SCHEMBL28909624 0.85
SCHEMBL20138043 0.85 MEN1 (0.34) NR1H2DPP4NR1H3
SCHEMBL20138154 0.84 DCK (0.31)
SCHEMBL20138215 0.84
SCHEMBL20138168 0.83 MEN1 (0.30)
SCHEMBL20138041 0.82 DCK (0.33) CTSK
SCHEMBL20138030 0.82 MEN1 (0.33)

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
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 US 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 (2 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A NR1H2 592/4885DPP4 541/4885ADORA2A 1398/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA NR1H2 1167/4885DPP4 508/4885ADORA2A 240/4885

“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.