SCHEMBL20138283

SCHEMBL20138283

Cc1nn(C)c(C)c1CN1C(=O)CCc2ccc(-c3cccc(C(N)=O)c3)nc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
MTOR P42345 2/20 0.35
FYN P06241 4/20 0.35
PDE4D Q08499 2/20 0.34
PDE7A Q13946 2/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 1/20 0.34
SCN9A Q15858 1/20 0.34
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
BRD4 O60885 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TDP2 O95551 1/20 0.33
KDM1A O60341 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE5A O76074 1/20 0.33
PDE11A Q9HCR9 1/20 0.33

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
SCHEMBL20138222 0.89 MTOR (0.37) BACE1MTORFYNPDE4DPDE7A
SCHEMBL20138177 0.84 MAPT (0.38) BACE1RAB9ATP53CYP11B2
SCHEMBL18305069 0.84 GRM2 (0.40) MTORRAB9ALMNA
SCHEMBL20138147 0.78 MAPK1 (0.44) MTOR
SCHEMBL20138249 0.78 FYN (0.38) BACE1FYNPDE4DPDE7AOPRM1
SCHEMBL20138100 0.76 PRMT5 (0.39) MTORPDE2A
SCHEMBL20137959 0.75 RAB9A (0.37) RAB9ABRD4LMNA
SCHEMBL20138158 0.74 GALR3 (0.37) PDE2ALMNA
SCHEMBL20138184 0.73 MAPT (0.36) BACE1MTORRAB9ABRD4TP53
SCHEMBL20137950 0.71 GALR3 (0.37) PDE7ABRD4

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 BACE1 1188/4885MTOR 3479/4885FYN 2533/4885
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 BACE1 731/4885MTOR 3921/4885FYN 1652/4885

“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.