SCHEMBL12992192

SCHEMBL12992192

Cc1nc(NC(=O)CCC(=O)OC(C)(C)C)sc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.50
PIK3CA P42336 7/20 0.50
PIK3CB P42338 7/20 0.50
PIK3CG P48736 7/20 0.50
PI4KB Q9UBF8 4/20 0.45
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
CLK1 P49759 1/20 0.43
RAB9A P51151 1/20 0.43
XIAP P98170 1/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
PARP1 P09874 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1891935 0.86 PIK3CG (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL13060436 0.82 MAPT (0.51) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL12992184 0.81 PIK3CG (0.57) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL12992079 0.81 PIK3CG (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL12992445 0.80 PARP1 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL12992468 0.76 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL12992202 0.76 PI4KB (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL3842187 0.76 PIK3CG (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2831604 0.76 PI4KB (0.49) PIK3CGPI4KBALDH1A1RAB9AKMT2A
SCHEMBL12992483 0.75 PIK3CG (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

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
US-8344153-B2 Inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 US disclosed
WO-2010144513-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 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-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CG, PIK3CD PIK3CD 3/4885PIK3CA 1/4885PIK3CB 4/4885

“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.