SCHEMBL20138098

SCHEMBL20138098

COc1ccc(-c2c(CN3C(=O)[C@@H](C)Oc4c(F)cc(-c5cccc(S(C)(=O)=O)c5)cc43)c(C)nn2C)cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.34
PDE2A O00408 2/20 0.34
NR1H2 P55055 3/20 0.33
CHRM1 P11229 1/20 0.33
PIK3CA P42336 3/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
PI4KB Q9UBF8 2/20 0.31
PIK3CD O00329 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RIPK2 O43353 1/20 0.31
NOD2 Q9HC29 1/20 0.31
KCNH2 Q12809 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
SCHEMBL20138251 0.85 PLK4 (0.32) NR1H2
SCHEMBL20137953 0.85 SMN1; SMN2 (0.37) NR1H2KCNH2
SCHEMBL20138182 0.83 NR1H2 (0.34) NR1H2KCNH2
SCHEMBL20138086 0.81 NR1H2 (0.32) NR1H2
SCHEMBL20138017 0.79 MEN1 (0.33) NR1H2KCNH2
SCHEMBL20137998 0.79 KCNH2 (0.33) NR1H2KCNH2
SCHEMBL20138116 0.79 SMN1; SMN2 (0.36)
SCHEMBL18305093 0.79 NR1H2 (0.31) NR1H2
SCHEMBL20138288 0.78 MEN1 (0.34) NR1H2CHRM1KCNH2
SCHEMBL20137920 0.78 MEN1 (0.34) NR1H2KCNH2

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 OXTR 3259/4885PDE2A 766/4885NR1H2 592/4885
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 OXTR 682/4885PDE2A 571/4885NR1H2 1167/4885

“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.