SCHEMBL20137987

SCHEMBL20137987

COc1cccc(-c2cnc3c(c2)N(Cc2c(C)nn(C)c2C)C(=O)CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
IGF1R P08069 1/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
BRD4 O60885 1/20 0.35
GRM2 Q14416 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
SMO Q99835 1/20 0.35
CMA1 P23946 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
BACE1 P56817 2/20 0.34

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
SCHEMBL20138119 0.86 GRIN1 (0.37) CYP11B1CYP11B2GRIN1GRIN2BMAPT
SCHEMBL18305169 0.84 KCNH2 (0.39)
SCHEMBL20138249 0.84 FYN (0.38) CYP11B2BRD4BACE1
SCHEMBL20138261 0.77 RAB9A (0.34) MAPTFPR2PROKR1
SCHEMBL20138177 0.76 MAPT (0.38) CYP11B1CYP11B2IGF1RMAPTFPR2
SCHEMBL20138094 0.70 FYN (0.36) CYP11B2BRD4BACE1
SCHEMBL20138184 0.69 MAPT (0.36) MAPTBRD4GRM2FPR2PROKR1
SCHEMBL18305014 0.66 GNRHR (0.40) MAPTSMO
SCHEMBL20138100 0.65 PRMT5 (0.39) CYP11B1MAPT
SCHEMBL16663607 0.62 POLB (0.52) BRD4

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 CYP11B1 865/4885CYP11B2 1128/4885IGF1R 3106/4885
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 CYP11B1 1231/4885CYP11B2 1708/4885IGF1R 1039/4885

“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.