SCHEMBL20137948

SCHEMBL20137948

C[C@H]1Oc2c(F)cc(-c3cccnc3)cc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.41
CYP11B1 P15538 10/20 0.41
ERN1 O75460 1/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
PARP1 P09874 1/20 0.39
CYP1A2 P05177 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
CYP2C9 P11712 1/20 0.38
TBXAS1 P24557 1/20 0.38
ABCB1 P08183 2/20 0.36
ABCC1 P33527 1/20 0.36
CYP19A1 P11511 1/20 0.36
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL6992569 0.79 PDE3B (0.54) CYP11B2CYP11B1AURKATTKAURKB
SCHEMBL20138138 0.78 PARP1 (0.38) PARP1PDE3BPDE3A
SCHEMBL20138188 0.77 PARP1 (0.37) PARP1PDE3BPDE3A
SCHEMBL20138248 0.77 BRD4 (0.40) PARP1
SCHEMBL18305051 0.76 CYP11B1 (0.60) CYP11B2CYP11B1ERN1CYP1A2PDE3B
SCHEMBL30806796 0.73 PARP1 (0.44) PARP1PDE3BPDE3A
SCHEMBL18128043 0.73 PARP1 (0.44) PARP1PDE3BPDE3A
SCHEMBL16792483 0.73 PARP1 (0.44) PARP1PDE3BPDE3A
SCHEMBL31451527 0.72 PARP1 (0.42) PARP1PDE3BPDE3A
SCHEMBL20138131 0.71 PARP1 (0.34) PARP1PDE3BPDE3A

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 CYP11B2 1128/4885CYP11B1 865/4885ERN1 4023/4885
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 CYP11B2 1708/4885CYP11B1 1231/4885ERN1 4221/4885

“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.