SCHEMBL20138119

SCHEMBL20138119

COc1cccc(-c2cnc3c(c2)N(Cc2c(C)nn(C)c2C)C(=O)C(C)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37
GRM2 Q14416 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FYN P06241 1/20 0.33
GNRHR P30968 1/20 0.33
SMO Q99835 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
SCHEMBL18304989 0.86 PIK3CA (0.35)
SCHEMBL20137987 0.86 CYP11B1 (0.39) GRIN1GRIN2BGRM2FPR2PROKR1
SCHEMBL20138209 0.85 CYP11B2 (0.36) GRIN1GRIN2BGRM2CYP11B1CYP11B2
SCHEMBL20138094 0.85 FYN (0.36) PDE4DCYP11B2FYN
SCHEMBL18305061 0.79 FPR2 (0.33) FPR2PROKR1MAPT
SCHEMBL20138184 0.78 MAPT (0.36) GRM2FPR2PROKR1MAPTTP53
SCHEMBL20138146 0.78 MAPK1 (0.37)
SCHEMBL18304968 0.71 CHEK1 (0.31)
SCHEMBL18305169 0.71 KCNH2 (0.39)
SCHEMBL20138249 0.70 FYN (0.38) PDE4DCYP11B2FYN

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 GRIN1 900/4885GRIN2B 651/4885GRM2 2197/4885
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 GRIN1 942/4885GRIN2B 266/4885GRM2 1146/4885

“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.