SCHEMBL10174553

SCHEMBL10174553

COc1cc(-c2ccc3c(n2)CN(c2cnn(CCN)c2)C3=O)cnc1OC

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 20/20 0.84
▸ PRKDC P78527 1/20 0.52
▸ PIK3CD O00329 5/20 0.44
▸ PIK3CA P42336 5/20 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
SCHEMBL10174643 0.93 PIK3CG (0.87) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142087 0.92 PIK3CG (0.82) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142086 0.92 PIK3CG (0.82) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142454 0.91 PIK3CG (1.00) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142223 0.91 PIK3CG (0.80) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142097 0.91 PIK3CG (0.80) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142467 0.90 PIK3CG (0.85) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142195 0.90 PIK3CG (0.79) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142128 0.90 PIK3CG (0.79) PIK3CGPRKDCPIK3CDPIK3CA
SCHEMBL10142100 0.90 PIK3CG (1.00) PIK3CGPRKDCPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — 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-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 PIK3CG 4/4885PRKDC 82/4885PIK3CD 1/4885

“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.

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