SCHEMBL20138226

SCHEMBL20138226

CN1CN(C)C(C)(CN2C(=O)COc3c(F)cc(-c4cccc(S(C)(=O)=O)c4)cc32)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
CHRM1 P11229 1/20 0.31
KCNH2 Q12809 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
SCHEMBL20138055 0.69 CHRM1 (0.33) CHRM1KCNH2
SCHEMBL18305065 0.69 KCNH2 (0.41) PTGS1PTGS2CHRM1KCNH2
SCHEMBL20137953 0.60 SMN1; SMN2 (0.37) KCNH2
SCHEMBL20138017 0.60 MEN1 (0.33) KCNH2
SCHEMBL20138182 0.59 NR1H2 (0.34) KCNH2
SCHEMBL20138248 0.59 BRD4 (0.40) PTGS1PTGS2
SCHEMBL6243674 0.58 KCNH2 (0.50) PTGS2KCNH2
SCHEMBL19155063 0.57 NR1H2 (0.47) KCNH2
SCHEMBL21245881 0.56 HTT (0.38) CHRM1
SCHEMBL20719357 0.56 CCNT1 (0.35) CHRM1KCNH2

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 PTGS1 59/4885PTGS2 167/4885CHRM1 3318/4885
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 PTGS1 66/4885PTGS2 200/4885CHRM1 2532/4885

“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.