SCHEMBL3935128

SCHEMBL3935128

N#CCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.52
PIK3CA P42336 13/20 0.49
PIK3CD O00329 3/20 0.49
MTOR P42345 14/20 0.46
PIK3CG P48736 8/20 0.45
PIK3CB P42338 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3927778 0.93 PIK3CA (0.49) ATRPIK3CAPIK3CDMTORPIK3CG
SCHEMBL3937475 0.93 PIK3CA (0.54) ATRPIK3CAPIK3CDMTORPIK3CG
SCHEMBL3936867 0.91 ATR (0.55) ATRPIK3CAPIK3CDMTORPIK3CG
SCHEMBL3936000 0.89 ATR (0.54) ATRPIK3CAPIK3CDMTORPIK3CG
SCHEMBL3937382 0.89 ATR (0.60) ATRPIK3CAPIK3CDMTORPIK3CG
SCHEMBL3936300 0.89 MTOR (0.57) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3930221 0.88 PIK3CA (0.63) ATRPIK3CAPIK3CDMTORPIK3CG
SCHEMBL3926919 0.86 MTOR (0.56) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3934720 0.86 MTOR (0.56) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3936054 0.86 ATR (0.61) ATRPIK3CAPIK3CDMTORPIK3CG

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
CN-101801962-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 ATR 1185/4885PIK3CA 2/4885PIK3CD 4/4885

“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.