SCHEMBL6186328

SCHEMBL6186328

CC(C)(C)c1ccc(C(=O)N2CCOc3ccc(/C=C4\SC(=S)NC4=O)cc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.59
CSNK2A2 P19784 1/20 0.51
CLK1 P49759 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK2 Q92630 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.48
MYC P01106 1/20 0.46
IL1RN P18510 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL6186331 1.00 PIK3CG (0.59) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6174177 0.88 PIK3CG (0.55) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6840045 0.88 NPC1 (0.56) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6840047 0.88 NPC1 (0.56) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6835907 0.86 NAT1 (0.55) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6835905 0.86 NAT1 (0.55) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6262522 0.86 CSNK2A2 (0.57) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6262517 0.86 CSNK2A2 (0.57) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6188170 0.86 PIK3CG (0.59) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6840046 0.86 PIK3CG (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 PIK3CG 4543/4885CSNK2A2 1130/4885CLK1 602/4885

“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.