SCHEMBL20138162

SCHEMBL20138162

CC(=O)N1CCCC(c2cc(F)c3c(c2)N(Cc2c(C)ccnc2C)C(=O)[C@@H](C)O3)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 14/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
BRD4 O60885 1/20 0.34
MAP3K12 Q12852 2/20 0.33
F11 P03951 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 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
SCHEMBL20138007 0.96 CCNT1 (0.34) CCNT1CDK9BRD4MAP3K12
SCHEMBL20137992 0.88 TSHR (0.37) PROKR1CCNT1CDK9MAP3K12F11
SCHEMBL18304954 0.87 PROKR1 (0.35) PROKR1CCNT1CDK9BRD4MAP3K12
SCHEMBL20138149 0.82 BRD4 (0.31) PROKR1BRD4
SCHEMBL28535412 0.82 BRD4 (0.39) PROKR1CCNT1CDK9BRD4MAP3K12
SCHEMBL20138016 0.82 LMNA (0.34)
SCHEMBL20138239 0.80 SLC2A1 (0.35)
SCHEMBL20138218 0.78 BRD4 (0.30) BRD4
SCHEMBL20137921 0.78 CYP11B1 (0.33)
SCHEMBL28537853 0.77 BRD4 (0.36) CCNT1CDK9BRD4

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 PROKR1 3147/4885CCNT1 4837/4885CDK9 2737/4885
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 PROKR1 2443/4885CCNT1 4373/4885CDK9 2310/4885

“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.