SCHEMBL3277863

SCHEMBL3277863

CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc3c(n2)NC(=O)CS3)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
METTL3 Q86U44 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.39
BRD3 Q15059 1/20 0.38
BACE1 P56817 2/20 0.38
ACKR3 P25106 1/20 0.38
CTSD P07339 1/20 0.38
USP30 Q70CQ3 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
NOTCH1 P46531 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL16212966 0.95 KDM4E (0.45) KDM4EPKMBACE1JAK2NOTCH1
SCHEMBL16213231 0.85 KCNH2 (0.43)
SCHEMBL3271883 0.83 KCNH2 (0.44) IDO1TDO2
SCHEMBL14367721 0.80 KCNH2 (0.42)
SCHEMBL3272794 0.80 LIMK2 (0.40) IDO1TDO2CCNT1CDK9BACE1
SCHEMBL14611171 0.73 GPR119 (0.51)
SCHEMBL5438244 0.72 KCNH2 (0.35)
SCHEMBL6584233 0.70 KDM4E (0.51) KDM4EPKMJAK2HTR6MAPT
SCHEMBL14610717 0.70 GPR119 (0.42)
SCHEMBL20379150 0.69 KDM4E (0.50) KDM4EPKMJAK2HTR6KDM1A

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-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 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 (1 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 IDO1 118/4885TDO2 49/4885CCNT1 1479/4885

“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.