SCHEMBL20138141

SCHEMBL20138141

Cc1cnnc(C)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(-c3ccc4c(c3)C(=O)NCC4)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.37
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK6 Q00534 1/20 0.36
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
PARP1 P09874 3/20 0.33
PARP10 Q53GL7 3/20 0.33
MAPK1 P28482 2/20 0.32
MAP3K5 Q99683 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PRF1 P14222 1/20 0.30
GRM5 P41594 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
SCHEMBL20138220 0.86 CDK4 (0.39) CD274CDK4CCNA2CDK2CDK6
SCHEMBL20138151 0.85 CD274 (0.37) CD274CDK4CCNA2CDK2CDK6
SCHEMBL20138227 0.83 CD274 (0.38) CD274CDK4CCNA2CDK2CDK6
SCHEMBL20138161 0.82 CDK4 (0.37) CD274CDK4CCNA2CDK2CDK6
SCHEMBL20138000 0.80 MAPK1 (0.38) CD274GABRG2GABRB3GABRA5PARP1
SCHEMBL20138142 0.76 CDK4 (0.36) CD274CDK4CCNA2CDK2CDK6
SCHEMBL20137955 0.76 PARP10 (0.30) PARP10
SCHEMBL18305060 0.75 CDK4 (0.41) CD274CDK4CCNA2CDK2CDK6
SCHEMBL20138171 0.74 PARP10 (0.30) PARP10
SCHEMBL20138262 0.72 MAPK1 (0.37) CD274CDK4CCNA2CDK2CDK6

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 CD274 667/4885CDK4 3486/4885CCNA2 4824/4885
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 CD274 174/4885CDK4 1962/4885CCNA2 3226/4885

“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.