SCHEMBL4996774

SCHEMBL4996774

O=C(O)N(CCO)c1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.73
MTOR P42345 20/20 0.73
PIK3CD O00329 1/20 0.71
PIK3CB P42338 1/20 0.71
AURKB Q96GD4 1/20 0.65

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
SCHEMBL55768 0.90 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CBAURKB
SCHEMBL5000998 0.88 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL3916231 0.86 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4989691 0.86 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL3989011 0.85 PIK3CA (0.93) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL55397 0.84 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL3984934 0.84 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBAURKB
SCHEMBL5000585 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3991344 0.84 PIK3CA (0.86) PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3992960 0.84 PIK3CA (0.87) PIK3CAMTORPIK3CDPIK3CB

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US claimed

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885PIK3CD 7/4885

“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.