SCHEMBL20138201

SCHEMBL20138201

Cc1nn(C)c(CO)c1CN1C(=O)COc2c(F)cc(-c3ccc4c(c3)C(=O)NCC4)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK6 Q00534 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
MAPK1 P28482 1/20 0.35
CHRM1 P11229 2/20 0.33
PARP1 P09874 3/20 0.32
PARP10 Q53GL7 3/20 0.32
BRD4 O60885 4/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
RIPK3 Q9Y572 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
SCHEMBL20138257 0.93 CD274 (0.38) CDK4CCNA2CDK2CDK6CD274
SCHEMBL18305045 0.91 CDK4 (0.38) CDK4CCNA2CDK2CDK6CD274
SCHEMBL20138106 0.89 CD274 (0.37) CDK4CCNA2CDK2CDK6CD274
SCHEMBL18305060 0.85 CDK4 (0.41) CDK4CCNA2CDK2CDK6CD274
SCHEMBL20138220 0.82 CDK4 (0.39) CDK4CCNA2CDK2CDK6CD274
SCHEMBL20964736 0.79 CDK4 (0.38) CDK4CCNA2CDK2CDK6CD274
SCHEMBL20138151 0.77 CD274 (0.37) CDK4CCNA2CDK2CDK6CD274
SCHEMBL20138315 0.75 CDK4 (0.35) CDK4CCNA2CDK2CDK6CD274
SCHEMBL20137915 0.73 MAPK1 (0.41) CD274MAPK1PARP1PARP10BRD4
SCHEMBL20138202 0.72 BRD4 (0.37) CHRM1BRD4SLC5A2

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 CDK4 3486/4885CCNA2 4824/4885CDK2 4374/4885
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 CDK4 1962/4885CCNA2 3226/4885CDK2 3418/4885

“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.