SCHEMBL6840045

SCHEMBL6840045

CCc1ccc(C(=O)N2CCOc3ccc(/C=C4\SC(=S)NC4=O)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
PIK3CG P48736 16/20 0.52
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
PIK3C2A O00443 2/20 0.49
PIK3C2B O00750 2/20 0.49
PIK3CA P42336 2/20 0.49
PRKDC P78527 2/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CB P42338 1/20 0.49

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
SCHEMBL6840047 1.00 NPC1 (0.56) NPC1RAB9AMYCMAXPIK3CG
SCHEMBL6839936 0.90 PIK3CG (0.51) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6839935 0.90 PIK3CG (0.51) PIK3CGCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL6174177 0.88 PIK3CG (0.55) RAB9AMYCMAXPIK3CGCSNK2A2
SCHEMBL6186331 0.88 PIK3CG (0.59) NPC1RAB9AMYCPIK3CGCSNK2A2
SCHEMBL6186328 0.88 PIK3CG (0.59) NPC1RAB9AMYCPIK3CGCSNK2A2
SCHEMBL6835905 0.86 NAT1 (0.55) RAB9AMYCMAXPIK3CGCSNK2A2
SCHEMBL6835907 0.86 NAT1 (0.55) RAB9AMYCMAXPIK3CGCSNK2A2
SCHEMBL6188174 0.86 PIK3CG (0.59) MYCMAXPIK3CGCSNK2A2CLK1
SCHEMBL6188170 0.86 PIK3CG (0.59) MYCMAXPIK3CGCSNK2A2CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 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-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 NPC1 4011/4885RAB9A 1076/4885MYC 4296/4885

“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.