SCHEMBL12992421

SCHEMBL12992421

Cc1nc(NC(=O)NC[C@H](C)OCC2CC2)sc1C#Cc1ccc2ncccc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 20/20 0.73
CYP2C9 P11712 4/20 0.70
PRKDC P78527 2/20 0.70
KCNH2 Q12809 1/20 0.68

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
SCHEMBL12992493 0.91 PIK3CG (0.76) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12991941 0.84 PIK3CG (1.00) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12992172 0.84 PIK3CG (1.00) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12992314 0.84 PIK3CG (1.00) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12993504 0.84 PIK3CG (0.56) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12992697 0.82 PIK3CG (0.79) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12991546 0.81 PIK3CG (1.00) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12992101 0.81 PIK3CG (0.78) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12991194 0.79 PIK3CG (0.85) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL13004897 0.79 PIK3CG (0.83) PIK3CGCYP2C9PRKDCKCNH2

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-8344153-B2 Inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
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
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 4190/4885PRKDC 57/4885

“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.