SCHEMBL20138155

SCHEMBL20138155

Cc1nn(C)c(C)c1CN1C(=O)C(C)Cc2ccc(-c3cccnc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CYP19A1 P11511 3/20 0.34
GRM2 Q14416 1/20 0.34
CYP2A6 P11509 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 3/20 0.33
PDE10A Q9Y233 2/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 1/20 0.33
MTOR P42345 1/20 0.33
CYP3A4 P08684 2/20 0.32
RECQL P46063 1/20 0.32
CYP17A1 P05093 1/20 0.32
GRIA2 P42262 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL20138200 0.87 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP2A6CYP1A2
SCHEMBL20138184 0.84 MAPT (0.36) GRM2ALDH1A1KDM4ESMN1; SMN2MTOR
SCHEMBL20138222 0.83 MTOR (0.37) PDE10AMTOR
SCHEMBL20137923 0.83 MTOR (0.37) MTOR
SCHEMBL18304945 0.80 HTR2A (0.36) KCNH2ALDH1A1SMN1; SMN2
SCHEMBL20138209 0.78 CYP11B2 (0.36) CYP11B1CYP11B2CYP19A1GRM2CYP2A6
SCHEMBL20138039 0.71 GALR3 (0.36) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20138177 0.71 MAPT (0.38) CYP11B1CYP11B2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20138233 0.71 GALR3 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL20138283 0.70 BACE1 (0.35) CYP11B2PDE10AMTOR

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 CYP11B1 865/4885CYP11B2 1128/4885CYP19A1 989/4885
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 CYP11B1 1231/4885CYP11B2 1708/4885CYP19A1 575/4885

“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.