SCHEMBL20138097

SCHEMBL20138097

Cc1nn(C)c(C)c1CN1C(=O)COc2ccc(C3CCNC3)nc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
NMT1 P30419 8/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
SHMT2 P34897 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GNRHR P30968 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL20138145 0.81 HTT (0.34) SMN1; SMN2GNRHRMAPK1KMT2A
SCHEMBL20137954 0.80 HTR1A (0.38) KMT2A
SCHEMBL20138057 0.80 GRM2 (0.39) GRM2
SCHEMBL20137971 0.79 SMN1; SMN2 (0.36) SMN1; SMN2SHMT2NPC1RAB9AGNRHR
SCHEMBL20138135 0.79 GRM2 (0.40) GRM2GNRHRTLR8
SCHEMBL20138189 0.76 SMN1; SMN2 (0.34) SMN1; SMN2SHMT2NPC1RAB9AGNRHR
SCHEMBL20138128 0.73 SHMT2 (0.34) SMN1; SMN2SHMT2NPC1RAB9A
SCHEMBL20137967 0.72 MAPK1 (0.43) SHMT2MAPK1
SCHEMBL20138092 0.70 SMN1; SMN2 (0.36) SMN1; SMN2SHMT2NPC1RAB9AKMT2A
SCHEMBL20138211 0.69 DRD2 (0.32) SMN1; SMN2SHMT2NPC1RAB9AGNRHR

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 GRM2 2197/4885NMT1 3668/4885SMN1; SMN2 798/4885
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 GRM2 1146/4885NMT1 2781/4885SMN1; SMN2 419/4885

“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.