SCHEMBL4253633

SCHEMBL4253633

O=C1NC(=O)C(=Cc2ccc3ncc(Br)n3c2)S1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.57
PIM1 P11309 7/20 0.56
PIM2 Q9P1W9 7/20 0.56
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
HTT P42858 1/20 0.52
CISD1 Q9NZ45 7/20 0.51
GSK3B P49841 3/20 0.51
PIM3 Q86V86 1/20 0.50
MTOR P42345 2/20 0.49
HPGD P15428 2/20 0.49
AKR1B1 P15121 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PIK3CD O00329 1/20 0.48
CSNK2A2 P19784 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
CLK1 P49759 1/20 0.48

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
SCHEMBL4253630 1.00 PIK3CG (0.57) PIK3CGPIM1PIM2MAOAMAOB
Acetic Acid SCHEMBL4252757 0.93 PIK3CG (0.52) PIK3CGPIM1PIM2MAOAMAOB
Acetic Acid SCHEMBL4252760 0.93 PIK3CG (0.52) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL4251800 0.84 PIK3CG (0.57) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL4251796 0.84 PIK3CG (0.57) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL13745282 0.84 PIK3CG (0.57) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL4254853 0.84 RAB9A (0.59) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL4254857 0.84 RAB9A (0.59) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL4254149 0.81 PIM1 (0.56) PIK3CGPIM1PIM2MAOAMAOB
SCHEMBL4257520 0.81 PIK3CG (0.54) PIK3CGPIM1PIM2MAOAMAOB

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-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

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 PIK3CG 5/4885PIM1 103/4885PIM2 107/4885

“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.