SCHEMBL2394812

SCHEMBL2394812

CCn1c(CN2CCN(C3CCS(=O)(=O)CC3)CC2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)nc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.50
MTOR P42345 1/20 0.50
PIK3CD O00329 18/20 0.49
PIK3CB P42338 10/20 0.47
PIK3CG P48736 10/20 0.47
PIK3R1 P27986 1/20 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
SCHEMBL2398751 0.94 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2394451 0.93 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2394633 0.91 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2395010 0.89 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2395972 0.88 PIK3CD (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2396961 0.87 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL12267760 0.87 PIK3CD (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2397372 0.86 PIK3CD (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2397365 0.86 PIK3CD (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2399660 0.86 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US claimed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA PIK3CA 1/4885MTOR 95/4885PIK3CD 2/4885

“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.