SCHEMBL20138202

SCHEMBL20138202

Cc1nn(C)c(C)c1CN1C(=O)COc2c(F)cc(-c3ccc4c(c3)S(=O)(=O)NC4)cc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.37
CHRM1 P11229 2/20 0.34
SLC5A2 P31639 1/20 0.31
NMT1 P30419 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL18305045 0.81 CDK4 (0.38) BRD4CHRM1SLC5A2NMT1
SCHEMBL18305041 0.76 NMT1 (0.36) CHRM1SLC5A2NMT1
SCHEMBL20138129 0.74 CHRM1 (0.33) BRD4CHRM1
SCHEMBL18305028 0.73 CCNT1 (0.32) CHRM1
SCHEMBL20138257 0.73 CD274 (0.38) BRD4CHRM1SLC5A2
SCHEMBL20138201 0.72 CDK4 (0.37) BRD4CHRM1SLC5A2
SCHEMBL18305005 0.70 CHRM1 (0.32) CHRM1
SCHEMBL18305064 0.70 BRD4 (0.38) BRD4CHRM1SLC5A2NMT1
SCHEMBL18305039 0.70 IDO1 (0.30) CHRM1
SCHEMBL18305060 0.70 CDK4 (0.41) BRD4CHRM1SLC5A2

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 BRD4 1801/4885CHRM1 3318/4885SLC5A2 2150/4885
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 BRD4 2210/4885CHRM1 2532/4885SLC5A2 3396/4885

“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.