SCHEMBL20138047

SCHEMBL20138047

CC(=O)N1CCCC(c2cc(F)c3c(c2)N(Cc2c(C)nc4ccc(Br)cn24)C(=O)CO3)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.35
BRD4 O60885 3/20 0.34
PROKR1 Q8TCW9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
OXTR P30559 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNK O75909 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNC P24863 1/20 0.30
CCND3 P30281 1/20 0.30
CDK8 P49336 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
CDK12 Q9NYV4 1/20 0.30

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
SCHEMBL20138114 0.90 CYP11B1 (0.35) SLC2A1
SCHEMBL18305071 0.88 SLC2A2 (0.33) SLC2A1
SCHEMBL18304992 0.87 TLR9 (0.31) SLC2A1
SCHEMBL18305150 0.81 CHRM1 (0.34) BRD4
SCHEMBL20138218 0.79 BRD4 (0.30) BRD4
SCHEMBL18305218 0.79 CCNT1 (0.31) CCNT1CCNKCDK1CDK4CCNB1
SCHEMBL18304954 0.79 PROKR1 (0.35) BRD4PROKR1KDM4ECCNT1CDK9
SCHEMBL20137921 0.78 CYP11B1 (0.33) SLC2A1KDM4E
SCHEMBL18304996 0.78 GALR3 (0.33) BRD4PROKR1KDM4E
SCHEMBL18305087 0.77 MEN1 (0.38) KDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC2A1 2389/4885BRD4 1801/4885PROKR1 3147/4885
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 SLC2A1 3304/4885BRD4 2210/4885PROKR1 2443/4885

“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.