SCHEMBL20137992

SCHEMBL20137992

CC(=O)N1CCCC(c2cc(F)c3c(c2)N(Cc2cccnc2C)C(=O)[C@@H](C)O3)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
RIPK1 Q13546 1/20 0.35
FEN1 P39748 1/20 0.35
CHRM1 P11229 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PRMT5 O14744 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PDE2A O00408 1/20 0.33
PROKR1 Q8TCW9 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F11 P03951 1/20 0.32
MAP3K12 Q12852 1/20 0.32

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
SCHEMBL20138162 0.88 PROKR1 (0.35) CCNT1CDK9PROKR1F11MAP3K12
SCHEMBL20138007 0.84 CCNT1 (0.34) TSHRPRMT5CCNT1CDK9MAP3K12
SCHEMBL20138149 0.82 BRD4 (0.31) PROKR1
SCHEMBL28535412 0.81 BRD4 (0.39) CCNT1CDK9PROKR1F11MAP3K12
SCHEMBL20138239 0.79 SLC2A1 (0.35)
SCHEMBL20138016 0.78 LMNA (0.34)
SCHEMBL20138218 0.78 BRD4 (0.30)
SCHEMBL20137925 0.77 KCNK3 (0.36) TSHRPDE2A
SCHEMBL20137921 0.77 CYP11B1 (0.33) PDE2A
SCHEMBL28537853 0.77 BRD4 (0.36) CCNT1CDK9

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 TSHR 2169/4885RIPK1 1490/4885FEN1 4271/4885
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 TSHR 940/4885RIPK1 3239/4885FEN1 1688/4885

“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.