SCHEMBL12992178

SCHEMBL12992178

COc1cncc(-c2sc(NC(=O)NC[C@H](C)OCC3CC3)nc2C)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.60
CYP2C9 P11712 3/20 0.60
KCNH2 Q12809 1/20 0.60
PRKDC P78527 2/20 0.56
PIK3CA P42336 6/20 0.45
PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL12992025 0.89 PIK3CG (0.61) PIK3CGCYP2C9KCNH2PRKDCPIK3CA
SCHEMBL12991912 0.87 PIK3CG (0.49) PIK3CGCYP2C9KCNH2PRKDCPIK3CA
SCHEMBL13060611 0.85 PIK3CG (0.58) PIK3CGCYP2C9KCNH2PRKDCPIK3CA
SCHEMBL12991794 0.84 PIK3CG (0.51) PIK3CGPIK3CAPI4KB
SCHEMBL12991193 0.84 PIK3CG (0.71) PIK3CGCYP2C9PRKDCPIK3CA
SCHEMBL12991550 0.84 PIK3CG (0.71) PIK3CGCYP2C9KCNH2PRKDCPIK3CA
SCHEMBL12992577 0.84 PIK3CG (0.71) PIK3CGCYP2C9KCNH2PRKDCPIK3CA
SCHEMBL13004897 0.83 PIK3CG (0.83) PIK3CGCYP2C9KCNH2PRKDC
SCHEMBL12992317 0.83 PIK3CG (0.61) PIK3CGCYP2C9KCNH2PRKDCPI4KB
SCHEMBL13060610 0.82 PIK3CG (0.72) PIK3CGCYP2C9KCNH2PRKDCPIK3CA

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 PIK3CG 2/4885CYP2C9 4190/4885KCNH2 3453/4885

“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.