SCHEMBL20138186

SCHEMBL20138186

Cc1nn(C)c(COc2cnc(N3CCOCC3)nc2)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(-c3cccc(S(C)(=O)=O)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.35
BRAF P15056 7/20 0.35
GPR119 Q8TDV5 6/20 0.33
KCNH2 Q12809 4/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
WDR5 P61964 3/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL18305093 0.84 NR1H2 (0.31) NR1H2
SCHEMBL20138012 0.84 CYP1A2 (0.33) WDR5
SCHEMBL20138086 0.83 NR1H2 (0.32) NR1H2
SCHEMBL20137953 0.81 SMN1; SMN2 (0.37) KCNH2WDR5NR1H2NR1H3
SCHEMBL20138182 0.80 NR1H2 (0.34) KCNH2NR1H2NR1H3
SCHEMBL20138116 0.78 SMN1; SMN2 (0.36) WDR5
SCHEMBL20138098 0.77 OXTR (0.34) KCNH2PTGS1PTGS2NR1H2PIK3CA
SCHEMBL20138017 0.76 MEN1 (0.33) KCNH2WDR5NR1H2NR1H3
SCHEMBL20138251 0.75 PLK4 (0.32) NR1H2NR1H3
SCHEMBL20138288 0.75 MEN1 (0.34) KCNH2WDR5NR1H2NR1H3

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 RAF1 2298/4885BRAF 1786/4885GPR119 876/4885
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 RAF1 2466/4885BRAF 1047/4885GPR119 944/4885

“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.