SCHEMBL20138012

SCHEMBL20138012

Cc1nn(C)c(COc2cnc(N3CCOCC3)nc2)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 5/20 0.33
TSHR P16473 2/20 0.33
WDR5 P61964 14/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL20138186 0.84 RAF1 (0.35) WDR5
SCHEMBL20138246 0.81
SCHEMBL20138164 0.79 TSHR (0.30) TSHR
SCHEMBL20138121 0.77 TSHR (0.35) ALDH1A1TSHRMEN1KMT2A
SCHEMBL20138286 0.72 TSHR (0.35) ALDH1A1TSHRMEN1KMT2A
SCHEMBL18305048 0.71 POLB (0.39) CYP1A2ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL18128268 0.71 WDR5 (0.39) WDR5
SCHEMBL20138084 0.69 TSHR (0.35) TSHRMEN1KMT2A
SCHEMBL20138258 0.69 TSHR (0.31) TSHR
SCHEMBL20138245 0.67 SLC5A2 (0.31)

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 CYP1A2 1164/4885ALDH1A1 557/4885HSD17B10 1111/4885
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 CYP1A2 1462/4885ALDH1A1 244/4885HSD17B10 2471/4885

“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.