SCHEMBL20138181

SCHEMBL20138181

Cc1nn(C)c(C)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(C3CN(Cc4ccccc4)CC3(F)F)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.32
RIPK1 Q13546 2/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
OPRM1 P35372 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ARG1 P05089 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL20138166 0.85 MEN1 (0.35) MEN1KMT2ATSHRRIPK1MAPT
SCHEMBL20137961 0.84 PIK3CD (0.31)
SCHEMBL20138278 0.76 TSHR (0.35) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL20138121 0.74 TSHR (0.35) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL20138016 0.73 LMNA (0.34)
SCHEMBL20138112 0.73 TSHR (0.34) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL20138194 0.70 GRM2 (0.35) MEN1KMT2ATSHR
SCHEMBL20137953 0.69 SMN1; SMN2 (0.37) MEN1KMT2ATSHRKCNH2ALDH1A1
SCHEMBL20138116 0.68 SMN1; SMN2 (0.36) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL20137955 0.67 PARP10 (0.30)

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 MEN1 4094/4885KMT2A 3814/4885TSHR 2169/4885
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 MEN1 4202/4885KMT2A 3061/4885TSHR 940/4885

“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.