SCHEMBL20138145

SCHEMBL20138145

Cc1nn(C)c(C)c1CN1C(=O)COc2ccc(C3CCN(S(C)(=O)=O)C3)nc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.32
FPR2 P25090 3/20 0.31
PROKR1 Q8TCW9 3/20 0.31
GNRHR P30968 1/20 0.31
LMNA P02545 2/20 0.30
KMT2A Q03164 2/20 0.30
CD74 P04233 1/20 0.30
CTSS P25774 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20137954 0.84 HTR1A (0.38) HTTKMT2AALDH1A1
SCHEMBL20138285 0.82 GALR3 (0.36) HTTTSHRPROKR1KMT2ASMN1; SMN2
SCHEMBL20137999 0.81 TSHR (0.35) HTTTSHRLMNAKMT2ASMN1; SMN2
SCHEMBL20138097 0.81 GRM2 (0.32) GNRHRKMT2ASMN1; SMN2MAPK1
SCHEMBL20138199 0.80 CYP11B2 (0.35) HTTTSHRGNRHRLMNAKMT2A
SCHEMBL18305075 0.77 CYP11B2 (0.34) HTTTSHRLMNAKMT2ASMN1; SMN2
SCHEMBL20137971 0.77 SMN1; SMN2 (0.36) HTTTSHRGNRHRLMNAKMT2A
SCHEMBL20138189 0.73 SMN1; SMN2 (0.34) HTTTSHRGNRHRKMT2ASMN1; SMN2
SCHEMBL20138128 0.70 SHMT2 (0.34) SMN1; SMN2
SCHEMBL20138092 0.69 SMN1; SMN2 (0.36) LMNAKMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 303/4885TSHR 2169/4885FPR2 1336/4885
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 HTT 3751/4885TSHR 940/4885FPR2 828/4885

“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.