SCHEMBL6176716

SCHEMBL6176716

O=C1NC(=S)SC1=Cc1ccc2c(c1)N(C(=O)C=Cc1cccc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.58
PIK3CG P48736 12/20 0.49
TTR P02766 1/20 0.48
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CLK1 P49759 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
NAT1 P18440 1/20 0.42
PIK3C2A O00443 2/20 0.41
PIK3C2B O00750 2/20 0.41
PIK3CA P42336 2/20 0.41
PRKDC P78527 2/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41

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
SCHEMBL6176711 1.00 CISD1 (0.58) CISD1PIK3CGTTRPIM1PIM2
SCHEMBL6184334 0.89 PIK3CG (0.51) PIK3CGPIM1CSNK2A2CLK1CSNK2B
SCHEMBL6184337 0.89 PIK3CG (0.51) PIK3CGPIM1CSNK2A2CLK1CSNK2B
SCHEMBL6187123 0.83 PIK3CG (0.53) PIK3CGPIM1CSNK2A2CLK1CSNK2B
SCHEMBL6187125 0.83 PIK3CG (0.53) PIK3CGPIM1CSNK2A2CLK1CSNK2B
SCHEMBL6175239 0.81 CSNK2A2 (0.58) CISD1PIK3CGCSNK2A2CLK1CSNK2B
SCHEMBL6176750 0.81 CSNK2A2 (0.58) CISD1PIK3CGCSNK2A2CLK1CSNK2B
SCHEMBL6840046 0.77 PIK3CG (0.54) CISD1PIK3CGADAMTS5CSNK2A2CLK1
SCHEMBL6173705 0.76 CSNK2A2 (0.54) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6173708 0.76 CSNK2A2 (0.54) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1

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
EP-1581529-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY (US) 2005-10-05 EP disclosed
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 US disclosed
WO-2004056820-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 CISD1 2285/4885PIK3CG 4543/4885TTR 3760/4885

“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.