SCHEMBL20138094

SCHEMBL20138094

Cc1nn(C)c(C)c1CN1C(=O)C(C)Cc2ncc(-c3cccc(C(N)=O)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.36
OPRM1 P35372 1/20 0.35
CCNT1 O60563 1/20 0.35
CCND1 P24385 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35
FLT1 P17948 2/20 0.34
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
BRD4 O60885 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 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
SCHEMBL20138249 0.86 FYN (0.38) FYNOPRM1CCNT1CCND1CCNC
SCHEMBL20138119 0.85 GRIN1 (0.37) FYNCYP11B2PDE4D
SCHEMBL20138209 0.84 CYP11B2 (0.36) CYP11B2
SCHEMBL20138222 0.80 MTOR (0.37) FYNOPRM1PDE4DPDE7ABRD4
SCHEMBL18304989 0.79 PIK3CA (0.35) BRD4
SCHEMBL18305061 0.77 FPR2 (0.33) MEN1KMT2A
SCHEMBL20138146 0.76 MAPK1 (0.37) MAPK1
SCHEMBL20138053 0.74 GALR3 (0.33)
SCHEMBL20138283 0.71 BACE1 (0.35) FYNOPRM1CYP11B2PDE4DPDE7A
SCHEMBL20137987 0.70 CYP11B1 (0.39) CYP11B2BRD4BACE1

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 FYN 2533/4885OPRM1 833/4885CCNT1 4837/4885
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 FYN 1652/4885OPRM1 260/4885CCNT1 4373/4885

“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.