SCHEMBL3040686

SCHEMBL3040686

NC(=O)c1cc(-c2cc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2cc[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.62
PIK3CB P42338 3/20 0.60
PIK3CG P48736 3/20 0.60
ATR Q13535 1/20 0.43
RAD52 P43351 1/20 0.41
ACHE P22303 1/20 0.40
PIK3CD O00329 1/20 0.38

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
SCHEMBL1027127 0.87 PIK3CA (0.68) PIK3CAPIK3CBPIK3CGATR
SCHEMBL13241456 0.87 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGRAD52ACHE
SCHEMBL370181 0.87 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGATRRAD52
SCHEMBL13220255 0.86 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGATRACHE
SCHEMBL3037741 0.85 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGATRRAD52
SCHEMBL3040376 0.85 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGATRRAD52
SCHEMBL3037754 0.83 PIK3CA (0.60) PIK3CAPIK3CBPIK3CGRAD52ACHE
SCHEMBL1026996 0.81 PIK3CA (0.68) PIK3CAPIK3CBPIK3CGATR
SCHEMBL3029737 0.79 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGRAD52ACHE
SCHEMBL3596640 0.77 ATR (0.50) PIK3CAPIK3CBPIK3CGATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210646-A1 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-19 US claimed
US-20100210646-A1 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-19 US disclosed
US-20100210646-A1 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-19 US disclosed
WO-2008125835-A1 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS PIRAMED LIMITED (GB) 2008-10-23 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-20100210646-A1 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CG 5/4885

“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.