SCHEMBL4258410

SCHEMBL4258410

O=C1NC(=O)/C(=C/c2ccc3ncc(-c4cccnc4)n3c2)S1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
MTOR P42345 4/20 0.54
PIK3CG P48736 3/20 0.53
PIK3CA P42336 2/20 0.53
CISD1 Q9NZ45 3/20 0.49
MAOA P21397 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
PIM3 Q86V86 1/20 0.45
HTT P42858 1/20 0.44
MAOB P27338 2/20 0.44
PIK3CD O00329 1/20 0.44
CSNK2A2 P19784 1/20 0.44
PIK3CB P42338 1/20 0.44
CLK1 P49759 1/20 0.44
CSNK2B P67870 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
SCHEMBL4258413 1.00 GSK3B (0.59) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL13745894 0.88 CISD1 (0.59) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL4250156 0.87 CISD1 (0.58) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL4250160 0.87 CISD1 (0.58) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL13745378 0.81 PIK3CG (0.53) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL14852082 0.78 PIM1 (0.57) MTORPIK3CGPIM1PIM2PIM3
SCHEMBL4257525 0.77 PIK3CG (0.46) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL4257530 0.77 PIK3CG (0.46) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL4256322 0.77 PIK3CG (0.47) GSK3BMTORPIK3CGPIK3CACISD1
SCHEMBL4256326 0.77 PIK3CG (0.47) GSK3BMTORPIK3CGPIK3CACISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 US claimed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 US disclosed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 US disclosed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 US disclosed
WO-2008014219-A2 THIOZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-31 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A GSK3B 398/4885MTOR 50/4885PIK3CG 5/4885

“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.